N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine

C10H18N2 — CID 143110191

IUPACN-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
SMILESCNC(CN)C1=CCCC=C1C
InChIInChI=1S/C10H18N2/c1-8-5-3-4-6-9(8)10(7-11)12-2/h5-6,10,12H,3-4,7,11H2,1-2H3
InChIKeyYPHXQVYBEKSBEK-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.20
Rot. Bonds3

About N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine

N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine (PubChem CID 143110191) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
PubChem CID143110191
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
SMILESCNC(CN)C1=CCCC=C1C
InChIInChI=1S/C10H18N2/c1-8-5-3-4-6-9(8)10(7-11)12-2/h5-6,10,12H,3-4,7,11H2,1-2H3
InChIKeyYPHXQVYBEKSBEK-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
(Z)-1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-amine
CID 138672545
(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 143020799
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
CID 143269798
N-(6-amino-3-fluoro-2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-methylthiohydroxylamine
CID 145140680
4-(1-aminoethyl)-5-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 164061777
6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine
CID 166951480
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine
CID 142063945
(Z)-3-fluoro-2-methyl-N'-(2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridin-3-ylmethyl)but-2-ene-1,4-diamine
CID 142416695
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142420473

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine (CID 143110191) is N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine is CNC(CN)C1=CCCC=C1C.
What is the InChIKey of N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The InChIKey is YPHXQVYBEKSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-5-3-4-6-9(8)10(7-11)12-2/h5-6,10,12H,3-4,7,11H2,1-2H3.
What are the key properties of N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 143110191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).