(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide

C14H28N2O2 — CID 99609371

IUPAC(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C14H28N2O2/c1-10(2)16(4)14(18)11(3)15-13-8-6-5-7-12(13)9-17/h10-13,15,17H,5-9H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyHTSJNNVPSBIAJK-YNEHKIRRSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds5

About (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide

(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 99609371) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
PubChem CID99609371
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C14H28N2O2/c1-10(2)16(4)14(18)11(3)15-13-8-6-5-7-12(13)9-17/h10-13,15,17H,5-9H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyHTSJNNVPSBIAJK-YNEHKIRRSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide with MolForge

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Related Compounds

(2S)-2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 129435663
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2-methylpropyl)propanamide
CID 106360844
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
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
2-[(2,2-dimethylcyclopentyl)amino]-N-methyl-N-propan-2-ylpropanamide
CID 102562972
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide (CID 99609371) is (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is HTSJNNVPSBIAJK-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)16(4)14(18)11(3)15-13-8-6-5-7-12(13)9-17/h10-13,15,17H,5-9H2,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide?
(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 99609371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).