2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide

C12H24N2O2 — CID 115359532

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide
SMILESCC(NCC1(CO)CCCC1)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-10(11(16)14(2)3)13-8-12(9-15)6-4-5-7-12/h10,13,15H,4-9H2,1-3H3
InChIKeyVSQIRFBSEPJKNH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide (PubChem CID 115359532) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide
PubChem CID115359532
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide
SMILESCC(NCC1(CO)CCCC1)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-10(11(16)14(2)3)13-8-12(9-15)6-4-5-7-12/h10,13,15H,4-9H2,1-3H3
InChIKeyVSQIRFBSEPJKNH-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
CID 54950879
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
N,N-diethyl-2-[(1-ethylcyclopentyl)methylamino]propanamide
CID 113257443
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-2-ylpropanamide
CID 115359436
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentylpropanamide
CID 115359404
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide (CID 115359532) is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide is CC(NCC1(CO)CCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide?
The InChIKey is VSQIRFBSEPJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(11(16)14(2)3)13-8-12(9-15)6-4-5-7-12/h10,13,15H,4-9H2,1-3H3.
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide?
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 115359532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).