N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide

C18H32N2O2 — CID 25246872

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
SMILESCCN(CC)C(=O)CC(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H32N2O2/c1-4-20(5-2)18(22)14-15(3)13-17(21)19-12-11-16-9-7-6-8-10-16/h9,15H,4-8,10-14H2,1-3H3,(H,19,21)
InChIKeyDBTOWXACFLRCAY-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.28
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide

N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide (PubChem CID 25246872) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
PubChem CID25246872
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
SMILESCCN(CC)C(=O)CC(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H32N2O2/c1-4-20(5-2)18(22)14-15(3)13-17(21)19-12-11-16-9-7-6-8-10-16/h9,15H,4-8,10-14H2,1-3H3,(H,19,21)
InChIKeyDBTOWXACFLRCAY-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
CID 108942896
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215
(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide
CID 41244831
N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
CID 56669533
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
CID 3646176

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide (CID 25246872) is N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide is CCN(CC)C(=O)CC(C)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide?
The InChIKey is DBTOWXACFLRCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-20(5-2)18(22)14-15(3)13-17(21)19-12-11-16-9-7-6-8-10-16/h9,15H,4-8,10-14H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide?
N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide has a molecular weight of 308.47 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide is sourced from PubChem (CID 25246872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).