N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide

C17H30N2O2 — CID 5167469

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H30N2O2/c1-14(2)10-12-18-16(20)8-9-17(21)19-13-11-15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBLGKPBYVGYKEIP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.94
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide (PubChem CID 5167469) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide
PubChem CID5167469
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H30N2O2/c1-14(2)10-12-18-16(20)8-9-17(21)19-13-11-15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBLGKPBYVGYKEIP-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.94
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

N-(2-cyclohex-1-en-1-ylethyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3237655
N-(2-cyclohex-1-en-1-ylethyl)-1-[(diethylamino)sulfonyl]piperidine-4-carboxamide
CID 5187962
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-[2-(1-cyclohexen-1-yl)ethyl]cyclopropanecarboxamide
CID 832625
4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5093494
N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 5226821
N,N'-bis[2-(cyclohex-1-en-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 3545057
N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 53518678
N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide
CID 119035220
N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide
CID 3591890
N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide
CID 2931795
(3R,11S,Z)-3,11-diethyl-7-methylazacyclotetradec-6-en-2-one
CID 163319715

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide (CID 5167469) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide is CC(C)CCNC(=O)CCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide?
The InChIKey is BLGKPBYVGYKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)10-12-18-16(20)8-9-17(21)19-13-11-15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide has a molecular weight of 294.44 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)butanediamide is sourced from PubChem (CID 5167469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).