ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine

C9H16N2 — CID 144936352

IUPACethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine
SMILESCC.[H]/N=C1\C=C(C)C=CC1N
InChIInChI=1S/C7H10N2.C2H6/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4,6,9H,8H2,1H3;1-2H3/b9-7+;
InChIKeySESXGSFCHTUBMF-BXTVWIJMSA-N
MW152.24 g/mol
LogP1.88
Rot. Bonds

About ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine

ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine (PubChem CID 144936352) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine
PubChem CID144936352
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine
SMILESCC.[H]/N=C1\C=C(C)C=CC1N
InChIInChI=1S/C7H10N2.C2H6/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4,6,9H,8H2,1H3;1-2H3/b9-7+;
InChIKeySESXGSFCHTUBMF-BXTVWIJMSA-N
XLogP1.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine (CID 144936352) is ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine is CC.[H]/N=C1\C=C(C)C=CC1N.
What is the InChIKey of ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is SESXGSFCHTUBMF-BXTVWIJMSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4,6,9H,8H2,1H3;1-2H3/b9-7+;.
What are the key properties of ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine?
ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 144936352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).