3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide

C13H26N2O2 — CID 62625547

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15-12(17)6-9-14-13(10-16)7-4-3-5-8-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyHOKJSGQPBKWAEK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.19
Rot. Bonds6

About 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide

3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide (PubChem CID 62625547) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
PubChem CID62625547
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15-12(17)6-9-14-13(10-16)7-4-3-5-8-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyHOKJSGQPBKWAEK-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 62522420
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
[1-(3-methylbutylamino)cyclopentyl]methanol
CID 62523608
[1-(butylamino)cyclohexyl]methanol
CID 62520970
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036
3-(methoxyamino)-N-propan-2-ylpropanamide
CID 60970227
1-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703846
3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide
CID 65111913
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide (CID 62625547) is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC1(CO)CCCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is HOKJSGQPBKWAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15-12(17)6-9-14-13(10-16)7-4-3-5-8-13/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62625547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).