2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide

C14H26N2O — CID 79814024

IUPAC2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(N)(CC)CC)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-4-11-16(12-9-7-8-10-12)13(17)14(15,5-2)6-3/h4,12H,1,5-11,15H2,2-3H3
InChIKeyFIKSRGJNOWSERJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.46
Rot. Bonds6

About 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide

2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide (PubChem CID 79814024) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
PubChem CID79814024
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(N)(CC)CC)C1CCCC1
InChIInChI=1S/C14H26N2O/c1-4-11-16(12-9-7-8-10-12)13(17)14(15,5-2)6-3/h4,12H,1,5-11,15H2,2-3H3
InChIKeyFIKSRGJNOWSERJ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide (CID 79814024) is 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide is C=CCN(C(=O)C(N)(CC)CC)C1CCCC1.
What is the InChIKey of 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide?
The InChIKey is FIKSRGJNOWSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-11-16(12-9-7-8-10-12)13(17)14(15,5-2)6-3/h4,12H,1,5-11,15H2,2-3H3.
What are the key properties of 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide?
2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide has a molecular weight of 238.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 79814024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).