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

C13H26N2O2 — CID 106361170

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC1CCCCC1CO
InChIInChI=1S/C13H26N2O2/c1-9(2)14-13(17)10(3)15-12-7-5-4-6-11(12)8-16/h9-12,15-16H,4-8H2,1-3H3,(H,14,17)
InChIKeyYXKMSIZYWSFGMQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds5

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

2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide (PubChem CID 106361170) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
PubChem CID106361170
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC1CCCCC1CO
InChIInChI=1S/C13H26N2O2/c1-9(2)14-13(17)10(3)15-12-7-5-4-6-11(12)8-16/h9-12,15-16H,4-8H2,1-3H3,(H,14,17)
InChIKeyYXKMSIZYWSFGMQ-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 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 ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2-methylpropyl)propanamide
CID 106360844
(2S)-2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 129435663
(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99609371
3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
CID 104934399
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
2-[(2-methoxycyclopentyl)amino]-N-propan-2-ylpropanamide
CID 62088226
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
CID 104934327

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide (CID 106361170) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC1CCCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is YXKMSIZYWSFGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)14-13(17)10(3)15-12-7-5-4-6-11(12)8-16/h9-12,15-16H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 106361170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).