1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine

C19H41N3O — CID 159394206

IUPAC1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine
SMILESCC(C)C1COC1.CC(C)N1CCC1.CC(C)N1CCNCC1
InChIInChI=1S/C7H16N2.C6H13N.C6H12O/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6/h7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyLMMVEIOGTSEDFL-UHFFFAOYSA-N
MW327.56 g/mol
LogP2.69
Rot. Bonds3

About 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine

1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine (PubChem CID 159394206) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine
PubChem CID159394206
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC Name1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine
SMILESCC(C)C1COC1.CC(C)N1CCC1.CC(C)N1CCNCC1
InChIInChI=1S/C7H16N2.C6H13N.C6H12O/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6/h7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyLMMVEIOGTSEDFL-UHFFFAOYSA-N
XLogP2.69
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine?
The IUPAC name of 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine (CID 159394206) is 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine.
What is the SMILES notation for 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine?
The canonical SMILES for 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine is CC(C)C1COC1.CC(C)N1CCC1.CC(C)N1CCNCC1.
What is the InChIKey of 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine?
The InChIKey is LMMVEIOGTSEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C6H13N.C6H12O/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6/h7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine?
1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine has a molecular weight of 327.56 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine is sourced from PubChem (CID 159394206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).