1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide

C12H24N2O2 — CID 115720548

IUPAC1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide
SMILESCOCCC(C)NCC1(C(N)=O)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(5-8-16-2)14-9-12(11(13)15)6-3-4-7-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyDBXUHPVRJRJGSQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds7

About 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide

1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide (PubChem CID 115720548) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide
PubChem CID115720548
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide
SMILESCOCCC(C)NCC1(C(N)=O)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(5-8-16-2)14-9-12(11(13)15)6-3-4-7-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyDBXUHPVRJRJGSQ-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720544
1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720546
4-hydroxy-4-[(4-methoxybutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499519
N-(4-methoxybutan-2-yl)-1-methylcyclopentan-1-amine
CID 115595180
1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide
CID 119789655
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide (CID 115720548) is 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide is COCCC(C)NCC1(C(N)=O)CCCC1.
What is the InChIKey of 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
The InChIKey is DBXUHPVRJRJGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(5-8-16-2)14-9-12(11(13)15)6-3-4-7-12/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115720548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).