3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide

C15H28N2O — CID 65269426

IUPAC3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(C)(C)C(C)(C)N)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-6-11-17(12-9-7-8-10-12)13(18)14(2,3)15(4,5)16/h6,12H,1,7-11,16H2,2-5H3
InChIKeyIUGNSLCZICHXMW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide

3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide (PubChem CID 65269426) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide
PubChem CID65269426
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(C)(C)C(C)(C)N)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-6-11-17(12-9-7-8-10-12)13(18)14(2,3)15(4,5)16/h6,12H,1,7-11,16H2,2-5H3
InChIKeyIUGNSLCZICHXMW-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.71
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-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide?
The IUPAC name of 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide (CID 65269426) is 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide?
The canonical SMILES for 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide is C=CCN(C(=O)C(C)(C)C(C)(C)N)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide?
The InChIKey is IUGNSLCZICHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-11-17(12-9-7-8-10-12)13(18)14(2,3)15(4,5)16/h6,12H,1,7-11,16H2,2-5H3.
What are the key properties of 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide?
3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide has a molecular weight of 252.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-2,2,3-trimethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 65269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).