1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C17H26N2O2 — CID 62115129

IUPAC1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)N(CCO)Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-14-17(9-5-2-6-10-17)16(21)19(11-12-20)13-15-7-3-1-4-8-15/h1,3-4,7-8,20H,2,5-6,9-14,18H2
InChIKeyUCXYQUCYSAXULQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.92
Rot. Bonds6

About 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 62115129) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID62115129
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)N(CCO)Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-14-17(9-5-2-6-10-17)16(21)19(11-12-20)13-15-7-3-1-4-8-15/h1,3-4,7-8,20H,2,5-6,9-14,18H2
InChIKeyUCXYQUCYSAXULQ-UHFFFAOYSA-N
XLogP1.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
CID 113310819
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
CID 171338056
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
CID 115448218
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62116197
N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
CID 80662849
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
CID 115452974
1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115452933
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 115443914
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
2-[[1-(aminomethyl)cycloheptanecarbonyl]-(carboxymethyl)amino]acetic acid
CID 115444111
1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 115435051

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 62115129) is 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is NCC1(C(=O)N(CCO)Cc2ccccc2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is UCXYQUCYSAXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-14-17(9-5-2-6-10-17)16(21)19(11-12-20)13-15-7-3-1-4-8-15/h1,3-4,7-8,20H,2,5-6,9-14,18H2.
What are the key properties of 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62115129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).