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

C15H30N2O2 — CID 106131934

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1CCCC(O)C1
InChIInChI=1S/C15H30N2O2/c1-4-13(5-2)17-15(19)11(3)16-10-12-7-6-8-14(18)9-12/h11-14,16,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyNZHHLWKZWAPRHS-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds7

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

2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide (PubChem CID 106131934) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
PubChem CID106131934
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1CCCC(O)C1
InChIInChI=1S/C15H30N2O2/c1-4-13(5-2)17-15(19)11(3)16-10-12-7-6-8-14(18)9-12/h11-14,16,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyNZHHLWKZWAPRHS-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
CID 114147705
2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
CID 106132783
N-carbamoyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 106129954
3-[(pentan-3-ylamino)methyl]cyclopentan-1-ol
CID 103271506
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 114147359
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
CID 55014476

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide (CID 106131934) is 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCC1CCCC(O)C1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is NZHHLWKZWAPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-13(5-2)17-15(19)11(3)16-10-12-7-6-8-14(18)9-12/h11-14,16,18H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide?
2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 106131934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).