N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine

C14H26N2 — CID 123361099

IUPACN'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)C1=CCCC=C1
InChIInChI=1S/C14H26N2/c1-4-15(5-2)12-13-16(6-3)14-10-8-7-9-11-14/h8,10-11H,4-7,9,12-13H2,1-3H3
InChIKeyGVNYPUYFNCAKIE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.88
Rot. Bonds7

About N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine

N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine (PubChem CID 123361099) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine
PubChem CID123361099
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)C1=CCCC=C1
InChIInChI=1S/C14H26N2/c1-4-15(5-2)12-13-16(6-3)14-10-8-7-9-11-14/h8,10-11H,4-7,9,12-13H2,1-3H3
InChIKeyGVNYPUYFNCAKIE-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2,6-lutidine
CID 68311864
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
N'-(4-fluorocyclohexa-1,5-dien-1-yl)-N'-methylethane-1,2-diamine
CID 156741320
1-butyl-4-[(3E,6Z)-7-fluorohepta-1,3,6-trien-3-yl]piperazine
CID 173942774
1-Cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine
CID 175756672
1-(Cyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 15665733
1,4-Dimethyl-tetrahydroquinoxaline
CID 129781915
1-methyl-6-(1-methyl-2H-pyridin-6-yl)-2H-pyridine
CID 20511065
N,N-dibutylcyclohexa-1,5-dien-1-amine
CID 21441409
N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 21647338

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine (CID 123361099) is N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)C1=CCCC=C1.
What is the InChIKey of N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is GVNYPUYFNCAKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-15(5-2)12-13-16(6-3)14-10-8-7-9-11-14/h8,10-11H,4-7,9,12-13H2,1-3H3.
What are the key properties of N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine?
N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexa-1,5-dien-1-yl-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 123361099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).