1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide

C13H26N2O2 — CID 115438007

IUPAC1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(8-16)15-12(17)13(9-14)6-4-3-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyFJSWPLPHZMRGFX-LLVKDONJSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds5

About 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 115438007) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
PubChem CID115438007
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(8-16)15-12(17)13(9-14)6-4-3-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyFJSWPLPHZMRGFX-LLVKDONJSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 106161157
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 113309472
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 79254012
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658
1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 115437311

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide (CID 115438007) is 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide is CC(C)[C@@H](CO)NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is FJSWPLPHZMRGFX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)11(8-16)15-12(17)13(9-14)6-4-3-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115438007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).