(4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine

C16H22N2 — CID 22336601

IUPAC(4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine
SMILESCC1=C/C(=C2\C=CC(C)(N)C(C)=C2)C=CC1(C)N
InChIInChI=1S/C16H22N2/c1-11-9-13(5-7-15(11,3)17)14-6-8-16(4,18)12(2)10-14/h5-10H,17-18H2,1-4H3/b14-13+
InChIKeyOUOAFMZIPXCUBR-BUHFOSPRSA-N
MW242.37 g/mol
LogP2.75
Rot. Bonds

About (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine

(4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine (PubChem CID 22336601) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine
PubChem CID22336601
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine
SMILESCC1=C/C(=C2\C=CC(C)(N)C(C)=C2)C=CC1(C)N
InChIInChI=1S/C16H22N2/c1-11-9-13(5-7-15(11,3)17)14-6-8-16(4,18)12(2)10-14/h5-10H,17-18H2,1-4H3/b14-13+
InChIKeyOUOAFMZIPXCUBR-BUHFOSPRSA-N
XLogP2.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
The IUPAC name of (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine (CID 22336601) is (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine is CC1=C/C(=C2\C=CC(C)(N)C(C)=C2)C=CC1(C)N.
What is the InChIKey of (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
The InChIKey is OUOAFMZIPXCUBR-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-9-13(5-7-15(11,3)17)14-6-8-16(4,18)12(2)10-14/h5-10H,17-18H2,1-4H3/b14-13+.
What are the key properties of (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
(4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine has a molecular weight of 242.37 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 22336601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).