2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide

C12H25N3O — CID 63316290

IUPAC2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
SMILESCCC(N)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-11(13)12(16)14-8-9-15(2)10-6-4-5-7-10/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyHAGHQLUWJOSNLK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide

2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide (PubChem CID 63316290) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
PubChem CID63316290
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
SMILESCCC(N)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-11(13)12(16)14-8-9-15(2)10-6-4-5-7-10/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyHAGHQLUWJOSNLK-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315824
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
5-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpentanamide
CID 113441005
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbutanamide
CID 79812015
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide?
The IUPAC name of 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide (CID 63316290) is 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide?
The canonical SMILES for 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide is CCC(N)C(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide?
The InChIKey is HAGHQLUWJOSNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11(13)12(16)14-8-9-15(2)10-6-4-5-7-10/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide?
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide is sourced from PubChem (CID 63316290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).