N-(1-aminohexan-2-yl)but-3-enamide

C10H20N2O — CID 80698077

IUPACN-(1-aminohexan-2-yl)but-3-enamide
SMILESC=CCC(=O)NC(CN)CCCC
InChIInChI=1S/C10H20N2O/c1-3-5-7-9(8-11)12-10(13)6-4-2/h4,9H,2-3,5-8,11H2,1H3,(H,12,13)
InChIKeyIOASWFQRHVIKKL-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds7

About N-(1-aminohexan-2-yl)but-3-enamide

N-(1-aminohexan-2-yl)but-3-enamide (PubChem CID 80698077) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)but-3-enamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)but-3-enamide
PubChem CID80698077
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(1-aminohexan-2-yl)but-3-enamide
SMILESC=CCC(=O)NC(CN)CCCC
InChIInChI=1S/C10H20N2O/c1-3-5-7-9(8-11)12-10(13)6-4-2/h4,9H,2-3,5-8,11H2,1H3,(H,12,13)
InChIKeyIOASWFQRHVIKKL-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-oct-1-en-3-ylacetamide
CID 87897341
N-cyclohexyl-3-butenamide
CID 10487283
N-dec-1-en-3-ylacetamide
CID 176427131
N-(1-cycloheptyl-3-piperidinyl)-3-butenamide
CID 45195479
N-(1'-methyl-1,4'-bipiperidin-3-yl)-3-butenamide
CID 45247182
N-but-3-enylpentanamide
CID 116037260
N-octa-1,7-dien-3-ylacetamide
CID 11298173
(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
CID 11745942
N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
N-propan-2-ylhept-6-enamide
CID 23466911
N-[3-(4-aminoocta-6,7-dienylamino)propyl]acetamide
CID 53873655
N-hex-1-en-3-ylpropanamide
CID 54131480

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)but-3-enamide?
The IUPAC name of N-(1-aminohexan-2-yl)but-3-enamide (CID 80698077) is N-(1-aminohexan-2-yl)but-3-enamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)but-3-enamide?
The canonical SMILES for N-(1-aminohexan-2-yl)but-3-enamide is C=CCC(=O)NC(CN)CCCC.
What is the InChIKey of N-(1-aminohexan-2-yl)but-3-enamide?
The InChIKey is IOASWFQRHVIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-7-9(8-11)12-10(13)6-4-2/h4,9H,2-3,5-8,11H2,1H3,(H,12,13).
What are the key properties of N-(1-aminohexan-2-yl)but-3-enamide?
N-(1-aminohexan-2-yl)but-3-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 7 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)but-3-enamide is sourced from PubChem (CID 80698077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).