3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C74H160N12O5 — CID 160793476

IUPAC3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCO[C@H](C)C1.CC1CN(C(C)C)CCO1.COC1CN(C(C)C)C1
InChIInChI=1S/C8H18N2.3C8H17NO.C8H17N.C7H16N2.2C7H15NO.C7H15N.C6H13N/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-6(2)8-4-7(5-8)9-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,4-7H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3/t;;8-;;;;;;;/m..1......./s1
InChIKeySCDASUILRBRODE-HYJFKUPXSA-N
MW1298.17 g/mol
LogP10.21
Rot. Bonds11

About 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 160793476) has the molecular formula C74H160N12O5 and a molecular weight of 1298.17 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID160793476
Molecular FormulaC74H160N12O5
Molecular Weight1298.17 g/mol
Exact Mass1297.26
IUPAC Name3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCO[C@H](C)C1.CC1CN(C(C)C)CCO1.COC1CN(C(C)C)C1
InChIInChI=1S/C8H18N2.3C8H17NO.C8H17N.C7H16N2.2C7H15NO.C7H15N.C6H13N/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-6(2)8-4-7(5-8)9-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,4-7H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3/t;;8-;;;;;;;/m..1......./s1
InChIKeySCDASUILRBRODE-HYJFKUPXSA-N
XLogP10.21
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.17
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 160793476) is 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1C.CC(C)N1CCO[C@H](C)C1.CC1CN(C(C)C)CCO1.COC1CN(C(C)C)C1.
What is the InChIKey of 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is SCDASUILRBRODE-HYJFKUPXSA-N. The full InChI is InChI=1S/C8H18N2.3C8H17NO.C8H17N.C7H16N2.2C7H15NO.C7H15N.C6H13N/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-4-5-10-6-8(9)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-6(2)8-4-7(5-8)9-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,4-7H2,1-3H3;3*7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3/t;;8-;;;;;;;/m..1......./s1.
What are the key properties of 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 1298.17 g/mol, XLogP of 10.21, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160793476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).