2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine

C15H27N — CID 170122533

IUPAC2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(C(C)C)C(N)C(C(C)C)=C1
InChIInChI=1S/C15H27N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,13,15H,16H2,1-6H3
InChIKeyWHOBMFRCJMJRGU-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.76
Rot. Bonds3

About 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine

2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 170122533) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID170122533
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(C(C)C)C(N)C(C(C)C)=C1
InChIInChI=1S/C15H27N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,13,15H,16H2,1-6H3
InChIKeyWHOBMFRCJMJRGU-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

poly(beta-D-mannuronate) lyase
CID 168356126
2,3,5,6-Tetramethylphenylenediamine
CID 53411773
1,5-Diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine
CID 66700376
Menthenamine
CID 129691874
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
gamma,4-Dimethylcyclohexene-1-propan-1-amine
CID 13574688
3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
6-(2,2-Dimethylpropyl)-3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 68045081
1-Fluoro-3-[4-(2-methylbutyl)cyclohexa-1,5-dien-1-yl]pentan-2-amine
CID 134316413
3-(4-Cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine
CID 134316560
1-(2-Fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142905008
2,6-Bis(prop-1-en-2-yl)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 165087765

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine (CID 170122533) is 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine is CC(C)C1=CC(C(C)C)C(N)C(C(C)C)=C1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is WHOBMFRCJMJRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,13,15H,16H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine?
2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 170122533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).