N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane

C12H24N2 — CID 143413643

IUPACN,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane
SMILESC.CNCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H20N2.CH4/c1-10-4-6-11(7-5-10)13(3)9-8-12-2;/h4,6,12H,5,7-9H2,1-3H3;1H4
InChIKeyFXHYUYSXYIVWBE-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.40
Rot. Bonds4

About N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane

N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane (PubChem CID 143413643) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane
PubChem CID143413643
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane
SMILESC.CNCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H20N2.CH4/c1-10-4-6-11(7-5-10)13(3)9-8-12-2;/h4,6,12H,5,7-9H2,1-3H3;1H4
InChIKeyFXHYUYSXYIVWBE-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-N-methylbuta-1,3-diene-2,3-diamine
CID 135269419
(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138626042
6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine
CID 139525633
N'-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 142349477
N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 143303397
1-N-[2-(dimethylamino)ethyl]-2-fluoro-1-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 153631110
4-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 153631397
(2Z,4Z)-9-(2-fluoro-2-methylpropyl)-6-methylidene-1,7,8,10-tetrahydropyrido[3,4-b]azocine
CID 154987711
N-(2-aminoethyl)-N'-[(3E)-2-fluorohepta-1,3-dien-4-yl]butane-1,4-diamine
CID 155072707
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
CID 156821650
N'-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylethane-1,2-diamine
CID 164024673
N'-[4-(2-but-1-en-2-yl-5-fluorocyclohepta-1,4,6-trien-1-yl)but-1-en-2-yl]-N-methylethane-1,2-diamine
CID 166814349

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane?
The IUPAC name of N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane (CID 143413643) is N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane.
What is the SMILES notation for N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane?
The canonical SMILES for N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane is C.CNCCN(C)C1=CC=C(C)CC1.
What is the InChIKey of N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane?
The InChIKey is FXHYUYSXYIVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.CH4/c1-10-4-6-11(7-5-10)13(3)9-8-12-2;/h4,6,12H,5,7-9H2,1-3H3;1H4.
What are the key properties of N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane?
N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane has a molecular weight of 196.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;methane is sourced from PubChem (CID 143413643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).