3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide

C13H27N3O — CID 113267515

IUPAC3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C13H27N3O/c1-4-10(2)16(3)8-7-15-13(17)11-5-6-12(14)9-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyXVWKYZZCNUDTHW-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 113267515) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID113267515
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C13H27N3O/c1-4-10(2)16(3)8-7-15-13(17)11-5-6-12(14)9-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyXVWKYZZCNUDTHW-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
3-amino-N-(2-hydroxy-3-methylpentyl)cyclopentane-1-carboxamide
CID 119784024
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide
CID 95167848

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide (CID 113267515) is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide is CCC(C)N(C)CCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is XVWKYZZCNUDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10(2)16(3)8-7-15-13(17)11-5-6-12(14)9-11/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 113267515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).