4-benzyl-1-methylazepane

C14H21N — CID 123177845

IUPAC4-benzyl-1-methylazepane
SMILESCN1CCCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H21N/c1-15-10-5-8-14(9-11-15)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyMIESJRXOASDHLR-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.96
Rot. Bonds2

About 4-benzyl-1-methylazepane

4-benzyl-1-methylazepane (PubChem CID 123177845) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-benzyl-1-methylazepane.

Molecular Properties

Compound Name4-benzyl-1-methylazepane
PubChem CID123177845
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-benzyl-1-methylazepane
SMILESCN1CCCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H21N/c1-15-10-5-8-14(9-11-15)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyMIESJRXOASDHLR-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
butane;cyclopentylmethylbenzene
CID 143522605
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methoxypiperidine
CID 146666995
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
(4S)-4-[(2-chloro-4-pyridinyl)methyl]-1-methylazepane
CID 95804791
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
cyclopropylmethylbenzene;ethane;methane
CID 142248267
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methylazepane?
The IUPAC name of 4-benzyl-1-methylazepane (CID 123177845) is 4-benzyl-1-methylazepane.
What is the SMILES notation for 4-benzyl-1-methylazepane?
The canonical SMILES for 4-benzyl-1-methylazepane is CN1CCCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-methylazepane?
The InChIKey is MIESJRXOASDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-15-10-5-8-14(9-11-15)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of 4-benzyl-1-methylazepane?
4-benzyl-1-methylazepane has a molecular weight of 203.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methylazepane is sourced from PubChem (CID 123177845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).