1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide

C13H26N2O3 — CID 106161157

IUPAC1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
SMILESCOCC(CCO)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-18-9-11(5-8-16)15-12(17)13(10-14)6-3-2-4-7-13/h11,16H,2-10,14H2,1H3,(H,15,17)
InChIKeySXULBXSSKQIXDH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds7

About 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 106161157) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
PubChem CID106161157
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
SMILESCOCC(CCO)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-18-9-11(5-8-16)15-12(17)13(10-14)6-3-2-4-7-13/h11,16H,2-10,14H2,1H3,(H,15,17)
InChIKeySXULBXSSKQIXDH-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
N-(4-chloro-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106155416
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106156254
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
CID 103799399
N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 115438007
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide (CID 106161157) is 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide is COCC(CCO)NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is SXULBXSSKQIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-18-9-11(5-8-16)15-12(17)13(10-14)6-3-2-4-7-13/h11,16H,2-10,14H2,1H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106161157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).