1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine

C12H22N4 — CID 154457178

IUPAC1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCN1CCN(C2=CC(C)(N)C(N)C=C2)CC1
InChIInChI=1S/C12H22N4/c1-12(14)9-10(3-4-11(12)13)16-7-5-15(2)6-8-16/h3-4,9,11H,5-8,13-14H2,1-2H3
InChIKeyTWWQCKJUMZCDDF-UHFFFAOYSA-N
MW222.34 g/mol
LogP-0.27
Rot. Bonds1

About 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine

1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 154457178) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID154457178
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCN1CCN(C2=CC(C)(N)C(N)C=C2)CC1
InChIInChI=1S/C12H22N4/c1-12(14)9-10(3-4-11(12)13)16-7-5-15(2)6-8-16/h3-4,9,11H,5-8,13-14H2,1-2H3
InChIKeyTWWQCKJUMZCDDF-UHFFFAOYSA-N
XLogP-0.27
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91221169
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1-cyclohexa-1,5-dien-1-yl-4-methylpiperazine;ethane
CID 143478856
N-methyl-4-(4-methylpiperazin-1-yl)-N-propylcyclohexa-2,4-dien-1-amine
CID 167253998
1-methyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 155476257
(3aS,6aS)-1-(4-aminocyclohexa-1,5-dien-1-yl)-3a,5-dimethyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrol-6a-amine
CID 143182292
3,3-dimethyl-5-pyrrolidin-1-ylcyclohepta-1,4,6-trien-1-amine
CID 142170233
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)-4-methylpiperazine;ethane;1-methyl-4-(3-methylcyclohexa-1,5-dien-1-yl)benzene
CID 143837173
(4R)-8-methyl-8-azaspiro[4.5]dec-2-en-4-amine
CID 146646213
2-(5-amino-1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 154494063
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine (CID 154457178) is 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine is CN1CCN(C2=CC(C)(N)C(N)C=C2)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is TWWQCKJUMZCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(14)9-10(3-4-11(12)13)16-7-5-15(2)6-8-16/h3-4,9,11H,5-8,13-14H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine?
1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperazin-1-yl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 154457178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).