1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine

C15H30N2O2 — CID 104759811

IUPAC1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
SMILESCOC1(CNC(C)CC2CCCCCN2)CCOC1
InChIInChI=1S/C15H30N2O2/c1-13(10-14-6-4-3-5-8-16-14)17-11-15(18-2)7-9-19-12-15/h13-14,16-17H,3-12H2,1-2H3
InChIKeyOXWWXQJWYAAOJK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.69
Rot. Bonds6

About 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine

1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine (PubChem CID 104759811) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
PubChem CID104759811
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
SMILESCOC1(CNC(C)CC2CCCCCN2)CCOC1
InChIInChI=1S/C15H30N2O2/c1-13(10-14-6-4-3-5-8-16-14)17-11-15(18-2)7-9-19-12-15/h13-14,16-17H,3-12H2,1-2H3
InChIKeyOXWWXQJWYAAOJK-UHFFFAOYSA-N
XLogP1.69
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113450280
1-[[1-(azepan-2-yl)propan-2-ylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79541195
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine
CID 105414670
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 79539855
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine (CID 104759811) is 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine is COC1(CNC(C)CC2CCCCCN2)CCOC1.
What is the InChIKey of 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The InChIKey is OXWWXQJWYAAOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(10-14-6-4-3-5-8-16-14)17-11-15(18-2)7-9-19-12-15/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 104759811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).