N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide

C15H28N2O — CID 91080926

IUPACN-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(CN)CC1CC=CCC1
InChIInChI=1S/C15H28N2O/c1-3-12(2)9-15(18)17-14(11-16)10-13-7-5-4-6-8-13/h4-5,12-14H,3,6-11,16H2,1-2H3,(H,17,18)
InChIKeyWFSHUDWDSUMYAE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.61
Rot. Bonds7

About N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide

N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide (PubChem CID 91080926) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide
PubChem CID91080926
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(CN)CC1CC=CCC1
InChIInChI=1S/C15H28N2O/c1-3-12(2)9-15(18)17-14(11-16)10-13-7-5-4-6-8-13/h4-5,12-14H,3,6-11,16H2,1-2H3,(H,17,18)
InChIKeyWFSHUDWDSUMYAE-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.61
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 5283416
N-isopropyl alpha-methylarachidonoyl amine
CID 5283418
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CID 162644302
2-amino-N-(2'-(cyclohex-2''-enyl)acetyl)acetimide
CID 44254610
ALA-VPA Conjugate-1
CID 162650105
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
(Z)-N-(4-methylcyclohexyl)octadec-9-enamide
CID 168296804
N-{2-[(3-cyclohexen-1-ylcarbonyl)amino]ethyl}-3-cyclohexene-1-carboxamide
CID 4049315
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
CID 51926176
N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide
CID 95635350

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide (CID 91080926) is N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(CN)CC1CC=CCC1.
What is the InChIKey of N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide?
The InChIKey is WFSHUDWDSUMYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-12(2)9-15(18)17-14(11-16)10-13-7-5-4-6-8-13/h4-5,12-14H,3,6-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide?
N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide has a molecular weight of 252.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-cyclohex-3-en-1-ylpropan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 91080926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).