1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine

C46H99N7O2 — CID 159943337

IUPAC1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.2C8H17N.C8H16O.C7H16N2.C7H15NO/c1-8(2)10-6-3-4-9-5-7-10;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyOBEALQXTZFJEDK-UHFFFAOYSA-N
MW782.34 g/mol
LogP7.31
Rot. Bonds6

About 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine

1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine (PubChem CID 159943337) has the molecular formula C46H99N7O2 and a molecular weight of 782.34 g/mol. Its IUPAC name is 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine
PubChem CID159943337
Molecular FormulaC46H99N7O2
Molecular Weight782.34 g/mol
Exact Mass781.79
IUPAC Name1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.2C8H17N.C8H16O.C7H16N2.C7H15NO/c1-8(2)10-6-3-4-9-5-7-10;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyOBEALQXTZFJEDK-UHFFFAOYSA-N
XLogP7.31
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.34
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The IUPAC name of 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine (CID 159943337) is 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine.
What is the SMILES notation for 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The canonical SMILES for 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine is CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The InChIKey is OBEALQXTZFJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2C8H17N.C8H16O.C7H16N2.C7H15NO/c1-8(2)10-6-3-4-9-5-7-10;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine has a molecular weight of 782.34 g/mol, XLogP of 7.31, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 159943337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).