N-(1-aminohexan-2-yl)pent-4-enamide

C11H22N2O — CID 80697365

IUPACN-(1-aminohexan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)NC(CN)CCCC
InChIInChI=1S/C11H22N2O/c1-3-5-7-10(9-12)13-11(14)8-6-4-2/h4,10H,2-3,5-9,12H2,1H3,(H,13,14)
InChIKeyLWUKQYAOJDKQIU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.59
Rot. Bonds8

About N-(1-aminohexan-2-yl)pent-4-enamide

N-(1-aminohexan-2-yl)pent-4-enamide (PubChem CID 80697365) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)pent-4-enamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)pent-4-enamide
PubChem CID80697365
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(1-aminohexan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)NC(CN)CCCC
InChIInChI=1S/C11H22N2O/c1-3-5-7-10(9-12)13-11(14)8-6-4-2/h4,10H,2-3,5-9,12H2,1H3,(H,13,14)
InChIKeyLWUKQYAOJDKQIU-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
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 N-(1-aminohexan-2-yl)pent-4-enamide?
The IUPAC name of N-(1-aminohexan-2-yl)pent-4-enamide (CID 80697365) is N-(1-aminohexan-2-yl)pent-4-enamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)pent-4-enamide?
The canonical SMILES for N-(1-aminohexan-2-yl)pent-4-enamide is C=CCCC(=O)NC(CN)CCCC.
What is the InChIKey of N-(1-aminohexan-2-yl)pent-4-enamide?
The InChIKey is LWUKQYAOJDKQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-7-10(9-12)13-11(14)8-6-4-2/h4,10H,2-3,5-9,12H2,1H3,(H,13,14).
What are the key properties of N-(1-aminohexan-2-yl)pent-4-enamide?
N-(1-aminohexan-2-yl)pent-4-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)pent-4-enamide is sourced from PubChem (CID 80697365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).