2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide

C14H26N2O — CID 65227549

IUPAC2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)C(CN)CCC)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-3-7-12(11-15)14(17)16(10-4-2)13-8-5-6-9-13/h4,12-13H,2-3,5-11,15H2,1H3
InChIKeyJPMDFZMKJIWJNC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.32
Rot. Bonds7

About 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide

2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide (PubChem CID 65227549) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide
PubChem CID65227549
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)C(CN)CCC)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-3-7-12(11-15)14(17)16(10-4-2)13-8-5-6-9-13/h4,12-13H,2-3,5-11,15H2,1H3
InChIKeyJPMDFZMKJIWJNC-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.32
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-N-prop-2-enylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide (CID 65227549) is 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide is C=CCN(C(=O)C(CN)CCC)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide?
The InChIKey is JPMDFZMKJIWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-7-12(11-15)14(17)16(10-4-2)13-8-5-6-9-13/h4,12-13H,2-3,5-11,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide?
2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide has a molecular weight of 238.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 65227549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).