2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide

C13H24N2O — CID 60947968

IUPAC2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(N)C(C)C)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-4-9-15(11-7-5-6-8-11)13(16)12(14)10(2)3/h4,10-12H,1,5-9,14H2,2-3H3
InChIKeyBTTRNIJBHMHSCT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide

2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide (PubChem CID 60947968) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
PubChem CID60947968
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(N)C(C)C)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-4-9-15(11-7-5-6-8-11)13(16)12(14)10(2)3/h4,10-12H,1,5-9,14H2,2-3H3
InChIKeyBTTRNIJBHMHSCT-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 65227548
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
CID 79012295
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide
CID 106112124
2-amino-N-cyclopentyl-2-(4-methylphenyl)-N-prop-2-enylacetamide
CID 106312192
2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
CID 79814024
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2R)-2-amino-N-cyclopentyl-3-(4-hydroxyphenyl)-N-prop-2-enylpropanamide
CID 104904891
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide (CID 60947968) is 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide is C=CCN(C(=O)C(N)C(C)C)C1CCCC1.
What is the InChIKey of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
The InChIKey is BTTRNIJBHMHSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-9-15(11-7-5-6-8-11)13(16)12(14)10(2)3/h4,10-12H,1,5-9,14H2,2-3H3.
What are the key properties of 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 60947968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).