2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide

C15H30N2O — CID 113322317

IUPAC2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCCCC1CCCC1
InChIInChI=1S/C15H30N2O/c1-3-15(4-2,12-16)14(18)17-11-7-10-13-8-5-6-9-13/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyJPWWAGNVNIZIRI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds8

About 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide

2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide (PubChem CID 113322317) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
PubChem CID113322317
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCCCC1CCCC1
InChIInChI=1S/C15H30N2O/c1-3-15(4-2,12-16)14(18)17-11-7-10-13-8-5-6-9-13/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyJPWWAGNVNIZIRI-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
CID 115760384
3-cyclohexylpropylcarbamic acid
CID 54479876
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide (CID 113322317) is 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NCCCC1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide?
The InChIKey is JPWWAGNVNIZIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-15(4-2,12-16)14(18)17-11-7-10-13-8-5-6-9-13/h13H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide is sourced from PubChem (CID 113322317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).