N-(4-aminocyclohexyl)hex-5-enamide

C12H22N2O — CID 119478568

IUPACN-(4-aminocyclohexyl)hex-5-enamide
SMILESC=CCCCC(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-12(15)14-11-8-6-10(13)7-9-11/h2,10-11H,1,3-9,13H2,(H,14,15)
InChIKeyOPEGQHFZMSXYEH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds5

About N-(4-aminocyclohexyl)hex-5-enamide

N-(4-aminocyclohexyl)hex-5-enamide (PubChem CID 119478568) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)hex-5-enamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)hex-5-enamide
PubChem CID119478568
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(4-aminocyclohexyl)hex-5-enamide
SMILESC=CCCCC(=O)NC1CCC(N)CC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-12(15)14-11-8-6-10(13)7-9-11/h2,10-11H,1,3-9,13H2,(H,14,15)
InChIKeyOPEGQHFZMSXYEH-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
N-(3-aminocyclobutyl)pent-4-enamide
CID 62677212
N-[4-(methylamino)cyclohexyl]pent-4-enamide
CID 79110901
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(4-aminocyclohexyl)-3-(methylamino)propanamide
CID 62319076
N-piperidin-4-ylpent-4-enamide
CID 62679298
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
N,N'-dicyclopropylbutanediamide
CID 5225156
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119475517
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)hex-5-enamide?
The IUPAC name of N-(4-aminocyclohexyl)hex-5-enamide (CID 119478568) is N-(4-aminocyclohexyl)hex-5-enamide.
What is the SMILES notation for N-(4-aminocyclohexyl)hex-5-enamide?
The canonical SMILES for N-(4-aminocyclohexyl)hex-5-enamide is C=CCCCC(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)hex-5-enamide?
The InChIKey is OPEGQHFZMSXYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-5-12(15)14-11-8-6-10(13)7-9-11/h2,10-11H,1,3-9,13H2,(H,14,15).
What are the key properties of N-(4-aminocyclohexyl)hex-5-enamide?
N-(4-aminocyclohexyl)hex-5-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)hex-5-enamide is sourced from PubChem (CID 119478568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).