4-N-methylcyclohexa-1,3-diene-1,4-diamine

C7H12N2 — CID 143935131

IUPAC4-N-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCNC1=CC=C(N)CC1
InChIInChI=1S/C7H12N2/c1-9-7-4-2-6(8)3-5-7/h2,4,9H,3,5,8H2,1H3
InChIKeyJKEQPZBWEBLGDN-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.73
Rot. Bonds1

About 4-N-methylcyclohexa-1,3-diene-1,4-diamine

4-N-methylcyclohexa-1,3-diene-1,4-diamine (PubChem CID 143935131) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-N-methylcyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-methylcyclohexa-1,3-diene-1,4-diamine
PubChem CID143935131
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-N-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCNC1=CC=C(N)CC1
InChIInChI=1S/C7H12N2/c1-9-7-4-2-6(8)3-5-7/h2,4,9H,3,5,8H2,1H3
InChIKeyJKEQPZBWEBLGDN-UHFFFAOYSA-N
XLogP0.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methylcyclohexa-1,3-dien-1-amine
CID 89073762
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
N-methylcyclohexa-1,3-dien-1-amine;zinc
CID 163558144
4-(aminomethyl)cyclohexa-1,3-dien-1-amine
CID 67968263
1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine
CID 123414674
N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine
CID 142987823
4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
4,4-difluoro-N-methylcyclohexen-1-amine
CID 162565161
ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen
CID 144920740
N-methyl-3,6-dihydro-2H-pyran-4-amine
CID 70244327
1-N-methylcyclobuta-1,2-diene-1,3-diamine
CID 176526021
N-methyl-4-(3-methylbutyl)cyclopenta-1,3-dien-1-amine
CID 129031718

Frequently Asked Questions

What is the IUPAC name of 4-N-methylcyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 4-N-methylcyclohexa-1,3-diene-1,4-diamine (CID 143935131) is 4-N-methylcyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 4-N-methylcyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 4-N-methylcyclohexa-1,3-diene-1,4-diamine is CNC1=CC=C(N)CC1.
What is the InChIKey of 4-N-methylcyclohexa-1,3-diene-1,4-diamine?
The InChIKey is JKEQPZBWEBLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-7-4-2-6(8)3-5-7/h2,4,9H,3,5,8H2,1H3.
What are the key properties of 4-N-methylcyclohexa-1,3-diene-1,4-diamine?
4-N-methylcyclohexa-1,3-diene-1,4-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylcyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 143935131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).