N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide

C16H25N3O — CID 79152363

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-18(13-15-8-6-14(12-17)7-9-15)16(20)19-10-4-2-3-5-11-19/h6-9H,2-5,10-13,17H2,1H3
InChIKeyHRKZHKPWLIRCFS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.57
Rot. Bonds3

About N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide (PubChem CID 79152363) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
PubChem CID79152363
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-18(13-15-8-6-14(12-17)7-9-15)16(20)19-10-4-2-3-5-11-19/h6-9H,2-5,10-13,17H2,1H3
InChIKeyHRKZHKPWLIRCFS-UHFFFAOYSA-N
XLogP2.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-1-carboxamide
CID 79161452
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
N-[(3-cyanophenyl)methyl]-N-methylazepane-1-carboxamide
CID 79152015
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
N-methyl-N-(1H-pyrazol-4-ylmethyl)azepane-1-carboxamide
CID 79152116
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 115684547
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide (CID 79152363) is N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide is CN(Cc1ccc(CN)cc1)C(=O)N1CCCCCC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide?
The InChIKey is HRKZHKPWLIRCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(13-15-8-6-14(12-17)7-9-15)16(20)19-10-4-2-3-5-11-19/h6-9H,2-5,10-13,17H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79152363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).