2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide

C14H26N2O — CID 65227548

IUPAC2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(CN)C(C)C)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-4-9-16(12-7-5-6-8-12)14(17)13(10-15)11(2)3/h4,11-13H,1,5-10,15H2,2-3H3
InChIKeyFTKXNTQJSINOJC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide

2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide (PubChem CID 65227548) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
PubChem CID65227548
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(CN)C(C)C)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-4-9-16(12-7-5-6-8-12)14(17)13(10-15)11(2)3/h4,11-13H,1,5-10,15H2,2-3H3
InChIKeyFTKXNTQJSINOJC-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide (CID 65227548) is 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide is C=CCN(C(=O)C(CN)C(C)C)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
The InChIKey is FTKXNTQJSINOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-9-16(12-7-5-6-8-12)14(17)13(10-15)11(2)3/h4,11-13H,1,5-10,15H2,2-3H3.
What are the key properties of 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide?
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 65227548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).