3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide

C12H24N2O2 — CID 65111913

IUPAC3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC1(O)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-11(15)5-8-13-9-12(16)6-3-4-7-12/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyZYPXFVJYRSNOPZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds6

About 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide

3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 65111913) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID65111913
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC1(O)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-11(15)5-8-13-9-12(16)6-3-4-7-12/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyZYPXFVJYRSNOPZ-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide
CID 107165890
3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 60909908
3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 113410658
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703846

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide (CID 65111913) is 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCC1(O)CCCC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZYPXFVJYRSNOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14-11(15)5-8-13-9-12(16)6-3-4-7-12/h10,13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide?
3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 65111913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).