2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide

C15H30N2O2 — CID 106132906

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC1CCC(O)CC1
InChIInChI=1S/C15H30N2O2/c1-4-5-11(2)17-15(19)12(3)16-10-13-6-8-14(18)9-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyVFXWNXFOETZKBQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds7

About 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide

2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide (PubChem CID 106132906) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
PubChem CID106132906
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC1CCC(O)CC1
InChIInChI=1S/C15H30N2O2/c1-4-5-11(2)17-15(19)12(3)16-10-13-6-8-14(18)9-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyVFXWNXFOETZKBQ-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-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 60975768
2-[(1,1-dioxothiolan-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 54914910
3-[(pentan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271338
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
4-[(pentan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532413
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
CID 115577400
N-carbamoyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 106129954
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 62976128
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide (CID 106132906) is 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide?
The InChIKey is VFXWNXFOETZKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-11(2)17-15(19)12(3)16-10-13-6-8-14(18)9-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide?
2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-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-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 106132906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).