2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine

C12H22N2 — CID 141086267

IUPAC2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCC(CN(C)C)N(C)C1=CCCC=C1
InChIInChI=1S/C12H22N2/c1-11(10-13(2)3)14(4)12-8-6-5-7-9-12/h6,8-9,11H,5,7,10H2,1-4H3
InChIKeyMNBOIXNFQBNCND-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.10
Rot. Bonds4

About 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine

2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 141086267) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID141086267
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCC(CN(C)C)N(C)C1=CCCC=C1
InChIInChI=1S/C12H22N2/c1-11(10-13(2)3)14(4)12-8-6-5-7-9-12/h6,8-9,11H,5,7,10H2,1-4H3
InChIKeyMNBOIXNFQBNCND-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2,6-lutidine
CID 68311864
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CID 129260203
4-(4,4-Difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
CID 150487981
1-butyl-4-[(3E,6Z)-7-fluorohepta-1,3,6-trien-3-yl]piperazine
CID 173942774
1-(Cyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 15665733
1,4-Dimethyl-tetrahydroquinoxaline
CID 129781915
1,2-Dipropylpyridin
CID 129888299
(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
CID 134838483
2,4,8-Trimethyl-10,10a-dihydropyrido[1,2-a]azepine
CID 21597245
6-methylidene-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 19799421
N,N-dibutylcyclohexa-1,5-dien-1-amine
CID 21441409

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 141086267) is 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine is CC(CN(C)C)N(C)C1=CCCC=C1.
What is the InChIKey of 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is MNBOIXNFQBNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(10-13(2)3)14(4)12-8-6-5-7-9-12/h6,8-9,11H,5,7,10H2,1-4H3.
What are the key properties of 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 141086267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).