2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine

C8H12N2 — CID 130241556

IUPAC2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=C(N)C=C(C)CC1
InChIInChI=1S/C8H12N2/c1-6-2-3-7(5-9)8(10)4-6/h4-5,9H,2-3,10H2,1H3/b9-5+
InChIKeyMKPPUQRCRWNLLZ-WEVVVXLNSA-N
MW136.20 g/mol
LogP1.59
Rot. Bonds1

About 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine

2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine (PubChem CID 130241556) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
PubChem CID130241556
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=C(N)C=C(C)CC1
InChIInChI=1S/C8H12N2/c1-6-2-3-7(5-9)8(10)4-6/h4-5,9H,2-3,10H2,1H3/b9-5+
InChIKeyMKPPUQRCRWNLLZ-WEVVVXLNSA-N
XLogP1.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
CID 172601501
(2E,4Z)-3-[(Z)-3-imino-2-methylprop-1-enyl]hepta-2,4,6-trien-2-amine
CID 117617001
(3Z,5E)-4-methanimidoylhepta-1,3,5-trien-3-amine
CID 126633066
(5Z,6E)-6-ethylidene-5-propylidenepyridin-3-amine
CID 126636008
(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine
CID 126687195
2-Methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 129066682
(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 134415586
(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
CID 134525597
6-Methanimidoylcyclohexa-1,5-diene-1,3-diamine
CID 135191478
2-[(E)-3-methyliminoprop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 141923207
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine;molecular hydrogen
CID 142083618
6-Methanimidoylcyclohexa-1,5-dien-1-amine
CID 142103720

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine (CID 130241556) is 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine is [H]/N=C/C1=C(N)C=C(C)CC1.
What is the InChIKey of 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is MKPPUQRCRWNLLZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-2-3-7(5-9)8(10)4-6/h4-5,9H,2-3,10H2,1H3/b9-5+.
What are the key properties of 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine?
2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 130241556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).