N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride

C14H25ClN2O — CID 119475517

IUPACN-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C14H24N2O.ClH/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(15)8-10-13;/h3-4,11-13H,1-2,5-10,15H2,(H,16,17);1H
InChIKeyZSFNUMLXYYEIMY-UHFFFAOYSA-N
MW272.82 g/mol
LogP2.56
Rot. Bonds6

About N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride

N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride (PubChem CID 119475517) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
PubChem CID119475517
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC NameN-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C14H24N2O.ClH/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(15)8-10-13;/h3-4,11-13H,1-2,5-10,15H2,(H,16,17);1H
InChIKeyZSFNUMLXYYEIMY-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 52.56
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

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CID 59578352
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N-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
N-(4-aminocyclohexyl)prop-2-enamide;sulfane
CID 158384464
N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119613963
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
N-(3-aminocyclopentyl)-2-ethylbutanamide
CID 115267780
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
N-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
N-cyclopropyl-2-ethylbutanamide
CID 5151098

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride (CID 119475517) is N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride is C=CCC(CC=C)C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The InChIKey is ZSFNUMLXYYEIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.ClH/c1-3-5-11(6-4-2)14(17)16-13-9-7-12(15)8-10-13;/h3-4,11-13H,1-2,5-10,15H2,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-prop-2-enylpent-4-enamide;hydrochloride is sourced from PubChem (CID 119475517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).