3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide

C13H26N2O2 — CID 102636283

IUPAC3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-10(2)14-13(17)8-9-15(3)11-6-4-5-7-12(11)16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyGOEBPNQSLIXNCY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

About 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide

3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide (PubChem CID 102636283) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
PubChem CID102636283
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-10(2)14-13(17)8-9-15(3)11-6-4-5-7-12(11)16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyGOEBPNQSLIXNCY-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 102636474
4-[(2-hydroxycyclohexyl)-methylamino]butanehydrazide
CID 102638791
6-[(2-hydroxycyclohexyl)-methylamino]hexan-2-one
CID 102632920
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260
N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102631553
N-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]acetamide
CID 102636528
4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102636707
3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
CID 102632451
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-hydroxycyclohexyl)-methylamino]-N-methylpropanamide
CID 102632300
3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide
CID 63318608
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide (CID 102636283) is 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(C)C1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is GOEBPNQSLIXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-13(17)8-9-15(3)11-6-4-5-7-12(11)16/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102636283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).