6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine

C9H15N3 — CID 176567437

IUPAC6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
SMILES[H]/N=C1/C(N)=CC(C)=CC1CNC
InChIInChI=1S/C9H15N3/c1-6-3-7(5-12-2)9(11)8(10)4-6/h3-4,7,11-12H,5,10H2,1-2H3/b11-9+
InChIKeyYLJSOEIUSCRHMY-PKNBQFBNSA-N
MW165.24 g/mol
LogP0.64
Rot. Bonds2

About 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine

6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 176567437) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
PubChem CID176567437
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
SMILES[H]/N=C1/C(N)=CC(C)=CC1CNC
InChIInChI=1S/C9H15N3/c1-6-3-7(5-12-2)9(11)8(10)4-6/h3-4,7,11-12H,5,10H2,1-2H3/b11-9+
InChIKeyYLJSOEIUSCRHMY-PKNBQFBNSA-N
XLogP0.64
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
4-diazo-N-ethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 21288837
N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
CID 67679348
N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine
CID 136955213
4-ethanimidoyl-N-ethenylcyclohexa-2,4-dien-1-amine
CID 139356744
CID 141844778
CID 141844778
(E)-N-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-1-prop-2-ynyliminobut-2-en-2-amine
CID 142056038
2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1,2-dihydropyrazine
CID 142851452
6-ethanimidoyl-N-methylcyclohexa-1,5-dien-1-amine
CID 143155737
ethane;6-ethyl-3-[(3Z)-hexa-1,3,5-trien-2-yl]-1,2-dihydropyrazine
CID 144022010
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
CID 144643391

Frequently Asked Questions

What is the IUPAC name of 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine (CID 176567437) is 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine is [H]/N=C1/C(N)=CC(C)=CC1CNC.
What is the InChIKey of 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is YLJSOEIUSCRHMY-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-3-7(5-12-2)9(11)8(10)4-6/h3-4,7,11-12H,5,10H2,1-2H3/b11-9+.
What are the key properties of 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 176567437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).