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

C13H24N2O — CID 65227499

IUPAC2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(CC)CN)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-3-9-15(12-7-5-6-8-12)13(16)11(4-2)10-14/h3,11-12H,1,4-10,14H2,2H3
InChIKeyLXGNVKQPJABNQT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.93
Rot. Bonds6

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

2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide (PubChem CID 65227499) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide
PubChem CID65227499
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(CC)CN)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-3-9-15(12-7-5-6-8-12)13(16)11(4-2)10-14/h3,11-12H,1,4-10,14H2,2H3
InChIKeyLXGNVKQPJABNQT-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide (CID 65227499) is 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide is C=CCN(C(=O)C(CC)CN)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide?
The InChIKey is LXGNVKQPJABNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-15(12-7-5-6-8-12)13(16)11(4-2)10-14/h3,11-12H,1,4-10,14H2,2H3.
What are the key properties of 2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide?
2-(aminomethyl)-N-cyclopentyl-N-prop-2-enylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.93, 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-N-prop-2-enylbutanamide is sourced from PubChem (CID 65227499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).