1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide

C11H22N2O2 — CID 107221086

IUPAC1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC[C@H](O)CNC(=O)C1(CN)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-9(14)7-13-10(15)11(8-12)5-3-2-4-6-11/h9,14H,2-8,12H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyARPVWKSOTGVWNT-VIFPVBQESA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds4

About 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 107221086) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID107221086
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC[C@H](O)CNC(=O)C1(CN)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-9(14)7-13-10(15)11(8-12)5-3-2-4-6-11/h9,14H,2-8,12H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyARPVWKSOTGVWNT-VIFPVBQESA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 107152969
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
1-(aminomethyl)-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739396
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-hydroxy-N-(2-hydroxypropyl)cyclopentane-1-carboxamide
CID 130676498
4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid
CID 103157255
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide (CID 107221086) is 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide is C[C@H](O)CNC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is ARPVWKSOTGVWNT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(14)7-13-10(15)11(8-12)5-3-2-4-6-11/h9,14H,2-8,12H2,1H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107221086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).