2-(azepan-1-yl)-N-benzyl-N-methylethanamine

C16H26N2 — CID 54806241

IUPAC2-(azepan-1-yl)-N-benzyl-N-methylethanamine
SMILESCN(CCN1CCCCCC1)Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-17(15-16-9-5-4-6-10-16)13-14-18-11-7-2-3-8-12-18/h4-6,9-10H,2-3,7-8,11-15H2,1H3
InChIKeyRLKNRBNRTXXVBS-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds5

About 2-(azepan-1-yl)-N-benzyl-N-methylethanamine

2-(azepan-1-yl)-N-benzyl-N-methylethanamine (PubChem CID 54806241) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-benzyl-N-methylethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-benzyl-N-methylethanamine
PubChem CID54806241
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(azepan-1-yl)-N-benzyl-N-methylethanamine
SMILESCN(CCN1CCCCCC1)Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-17(15-16-9-5-4-6-10-16)13-14-18-11-7-2-3-8-12-18/h4-6,9-10H,2-3,7-8,11-15H2,1H3
InChIKeyRLKNRBNRTXXVBS-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211277
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N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
CID 143170210
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
CID 110753480
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207200
ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
CID 95139916
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
CID 119878564
N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
CID 54276593

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-benzyl-N-methylethanamine?
The IUPAC name of 2-(azepan-1-yl)-N-benzyl-N-methylethanamine (CID 54806241) is 2-(azepan-1-yl)-N-benzyl-N-methylethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-N-benzyl-N-methylethanamine?
The canonical SMILES for 2-(azepan-1-yl)-N-benzyl-N-methylethanamine is CN(CCN1CCCCCC1)Cc1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)-N-benzyl-N-methylethanamine?
The InChIKey is RLKNRBNRTXXVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17(15-16-9-5-4-6-10-16)13-14-18-11-7-2-3-8-12-18/h4-6,9-10H,2-3,7-8,11-15H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-benzyl-N-methylethanamine?
2-(azepan-1-yl)-N-benzyl-N-methylethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-benzyl-N-methylethanamine is sourced from PubChem (CID 54806241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).