4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine

C14H18N2 — CID 23083754

IUPAC4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine
SMILESCC1(N)C=CC(=C2C=CC(C)(N)C=C2)C=C1
InChIInChI=1S/C14H18N2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12/h3-10H,15-16H2,1-2H3/b12-11-
InChIKeyRUEZZVQPABKJJV-QXMHVHEDSA-N
MW214.31 g/mol
LogP1.97
Rot. Bonds

About 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine

4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine (PubChem CID 23083754) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine
PubChem CID23083754
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine
SMILESCC1(N)C=CC(=C2C=CC(C)(N)C=C2)C=C1
InChIInChI=1S/C14H18N2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12/h3-10H,15-16H2,1-2H3/b12-11-
InChIKeyRUEZZVQPABKJJV-QXMHVHEDSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine (CID 23083754) is 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine is CC1(N)C=CC(=C2C=CC(C)(N)C=C2)C=C1.
What is the InChIKey of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine?
The InChIKey is RUEZZVQPABKJJV-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H18N2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12/h3-10H,15-16H2,1-2H3/b12-11-.
What are the key properties of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine?
4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine has a molecular weight of 214.31 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 23083754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).