N-propan-2-ylhept-6-enamide

C10H19NO — CID 23466911

IUPACN-propan-2-ylhept-6-enamide
SMILESC=CCCCCC(=O)NC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8-10(12)11-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyAXVAEZRNXIMPSU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds6

About N-propan-2-ylhept-6-enamide

N-propan-2-ylhept-6-enamide (PubChem CID 23466911) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-propan-2-ylhept-6-enamide.

Molecular Properties

Compound NameN-propan-2-ylhept-6-enamide
PubChem CID23466911
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-propan-2-ylhept-6-enamide
SMILESC=CCCCCC(=O)NC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8-10(12)11-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyAXVAEZRNXIMPSU-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Arachidonylcyclopropylamide
CID 5311007
N-propyl arachidonoyl amine
CID 5283394
N-ethyl arachidonoyl amine
CID 5283391
N-isopropyl arachidonoyl amine
CID 5283395
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377
N-butyl arachidonoyl amine
CID 5283396
N-(1S-methyl-propyl)arachidonoylamide
CID 5283401
N-(1R-methyl-propyl)arachidonoylamide
CID 5283402
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid sec-butylamide
CID 10832336
9,12-Octadecadienamide, N-(1-methylethyl)-, (Z,Z)-
CID 6444518
N-amyl arachidohoyl amine
CID 5283398
10-Undecenamide, N-(2-(dimethylamino)ethyl)-
CID 97621

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylhept-6-enamide?
The IUPAC name of N-propan-2-ylhept-6-enamide (CID 23466911) is N-propan-2-ylhept-6-enamide.
What is the SMILES notation for N-propan-2-ylhept-6-enamide?
The canonical SMILES for N-propan-2-ylhept-6-enamide is C=CCCCCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylhept-6-enamide?
The InChIKey is AXVAEZRNXIMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-8-10(12)11-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-propan-2-ylhept-6-enamide?
N-propan-2-ylhept-6-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylhept-6-enamide is sourced from PubChem (CID 23466911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).