4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine

C21H34N2 — CID 66813912

IUPAC4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(C)(CC2(C)C=C(C)C(N)=C(C)C2C)C(C)C(C)=C1N
InChIInChI=1S/C21H34N2/c1-12-9-20(7,16(5)14(3)18(12)22)11-21(8)10-13(2)19(23)15(4)17(21)6/h9-10,16-17H,11,22-23H2,1-8H3
InChIKeyKTCJNULAKCARHF-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.05
Rot. Bonds2

About 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine

4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine (PubChem CID 66813912) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine
PubChem CID66813912
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(C)(CC2(C)C=C(C)C(N)=C(C)C2C)C(C)C(C)=C1N
InChIInChI=1S/C21H34N2/c1-12-9-20(7,16(5)14(3)18(12)22)11-21(8)10-13(2)19(23)15(4)17(21)6/h9-10,16-17H,11,22-23H2,1-8H3
InChIKeyKTCJNULAKCARHF-UHFFFAOYSA-N
XLogP5.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine (CID 66813912) is 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine is CC1=CC(C)(CC2(C)C=C(C)C(N)=C(C)C2C)C(C)C(C)=C1N.
What is the InChIKey of 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The InChIKey is KTCJNULAKCARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-12-9-20(7,16(5)14(3)18(12)22)11-21(8)10-13(2)19(23)15(4)17(21)6/h9-10,16-17H,11,22-23H2,1-8H3.
What are the key properties of 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine has a molecular weight of 314.52 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)methyl]-2,3,4,6-tetramethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 66813912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).