(1-benzylazepan-3-yl)methanamine

C14H22N2 — CID 15718476

IUPAC(1-benzylazepan-3-yl)methanamine
SMILESNCC1CCCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2/c15-10-14-8-4-5-9-16(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChIKeyGKDRMOQJXZGUAV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.25
Rot. Bonds3

About (1-benzylazepan-3-yl)methanamine

(1-benzylazepan-3-yl)methanamine (PubChem CID 15718476) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1-benzylazepan-3-yl)methanamine.

Molecular Properties

Compound Name(1-benzylazepan-3-yl)methanamine
PubChem CID15718476
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1-benzylazepan-3-yl)methanamine
SMILESNCC1CCCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2/c15-10-14-8-4-5-9-16(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChIKeyGKDRMOQJXZGUAV-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
(3R)-1-benzylazepan-3-ol
CID 124585423
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703

Frequently Asked Questions

What is the IUPAC name of (1-benzylazepan-3-yl)methanamine?
The IUPAC name of (1-benzylazepan-3-yl)methanamine (CID 15718476) is (1-benzylazepan-3-yl)methanamine.
What is the SMILES notation for (1-benzylazepan-3-yl)methanamine?
The canonical SMILES for (1-benzylazepan-3-yl)methanamine is NCC1CCCCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylazepan-3-yl)methanamine?
The InChIKey is GKDRMOQJXZGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-10-14-8-4-5-9-16(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2.
What are the key properties of (1-benzylazepan-3-yl)methanamine?
(1-benzylazepan-3-yl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylazepan-3-yl)methanamine is sourced from PubChem (CID 15718476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).