N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide

C17H26N2O — CID 60921545

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-2-19(17(20)14-8-4-3-5-9-14)13-16-11-7-6-10-15(16)12-18/h6-7,10-11,14H,2-5,8-9,12-13,18H2,1H3
InChIKeySYDVUWDDBBVLJY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide (PubChem CID 60921545) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
PubChem CID60921545
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-2-19(17(20)14-8-4-3-5-9-14)13-16-11-7-6-10-15(16)12-18/h6-7,10-11,14H,2-5,8-9,12-13,18H2,1H3
InChIKeySYDVUWDDBBVLJY-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
(3S)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141759
(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141758
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107398398
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide (CID 60921545) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide is CCN(Cc1ccccc1CN)C(=O)C1CCCCC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide?
The InChIKey is SYDVUWDDBBVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19(17(20)14-8-4-3-5-9-14)13-16-11-7-6-10-15(16)12-18/h6-7,10-11,14H,2-5,8-9,12-13,18H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide is sourced from PubChem (CID 60921545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).