1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine

C16H30N2 — CID 79560562

IUPAC1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCCN1)NCC1CC=CCC1
InChIInChI=1S/C16H30N2/c1-14(12-16-10-6-3-7-11-17-16)18-13-15-8-4-2-5-9-15/h2,4,14-18H,3,5-13H2,1H3
InChIKeyRGPWUPBYZJHOFK-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.24
Rot. Bonds5

About 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine

1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine (PubChem CID 79560562) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
PubChem CID79560562
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCCN1)NCC1CC=CCC1
InChIInChI=1S/C16H30N2/c1-14(12-16-10-6-3-7-11-17-16)18-13-15-8-4-2-5-9-15/h2,4,14-18H,3,5-13H2,1H3
InChIKeyRGPWUPBYZJHOFK-UHFFFAOYSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538653
3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 114146569
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79548794
1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
CID 79539978
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine (CID 79560562) is 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine is CC(CC1CCCCCN1)NCC1CC=CCC1.
What is the InChIKey of 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine?
The InChIKey is RGPWUPBYZJHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(12-16-10-6-3-7-11-17-16)18-13-15-8-4-2-5-9-15/h2,4,14-18H,3,5-13H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine?
1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine has a molecular weight of 250.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 79560562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).