3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide

C15H28N2O — CID 54872939

IUPAC3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCNC(C)(C)C)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-5-12-17(13-8-6-7-9-13)14(18)10-11-16-15(2,3)4/h5,13,16H,1,6-12H2,2-4H3
InChIKeyAGJAVNIYXRKIDE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.72
Rot. Bonds6

About 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide

3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide (PubChem CID 54872939) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide
PubChem CID54872939
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCNC(C)(C)C)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-5-12-17(13-8-6-7-9-13)14(18)10-11-16-15(2,3)4/h5,13,16H,1,6-12H2,2-4H3
InChIKeyAGJAVNIYXRKIDE-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.72
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 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide (CID 54872939) is 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide is C=CCN(C(=O)CCNC(C)(C)C)C1CCCC1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide?
The InChIKey is AGJAVNIYXRKIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-12-17(13-8-6-7-9-13)14(18)10-11-16-15(2,3)4/h5,13,16H,1,6-12H2,2-4H3.
What are the key properties of 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide?
3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 54872939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).