3-(1-benzylazepan-2-yl)propan-1-amine

C16H26N2 — CID 83488248

IUPAC3-(1-benzylazepan-2-yl)propan-1-amine
SMILESNCCCC1CCCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c17-12-7-11-16-10-5-2-6-13-18(16)14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,17H2
InChIKeyGBQBOLRVACBTCH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds5

About 3-(1-benzylazepan-2-yl)propan-1-amine

3-(1-benzylazepan-2-yl)propan-1-amine (PubChem CID 83488248) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-(1-benzylazepan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzylazepan-2-yl)propan-1-amine
PubChem CID83488248
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-(1-benzylazepan-2-yl)propan-1-amine
SMILESNCCCC1CCCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c17-12-7-11-16-10-5-2-6-13-18(16)14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,17H2
InChIKeyGBQBOLRVACBTCH-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 63762657
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylazepan-2-yl)propan-1-amine?
The IUPAC name of 3-(1-benzylazepan-2-yl)propan-1-amine (CID 83488248) is 3-(1-benzylazepan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-benzylazepan-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-benzylazepan-2-yl)propan-1-amine is NCCCC1CCCCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylazepan-2-yl)propan-1-amine?
The InChIKey is GBQBOLRVACBTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-12-7-11-16-10-5-2-6-13-18(16)14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,17H2.
What are the key properties of 3-(1-benzylazepan-2-yl)propan-1-amine?
3-(1-benzylazepan-2-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylazepan-2-yl)propan-1-amine is sourced from PubChem (CID 83488248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).