2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine

C15H27N — CID 143639582

IUPAC2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine
SMILESCCC(C)(C)C1=CCC=C(C(C)(C)C)C1N
InChIInChI=1S/C15H27N/c1-7-15(5,6)12-10-8-9-11(13(12)16)14(2,3)4/h9-10,13H,7-8,16H2,1-6H3
InChIKeySVCDDRFIVSVHDZ-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.05
Rot. Bonds2

About 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine

2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine (PubChem CID 143639582) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine
PubChem CID143639582
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine
SMILESCCC(C)(C)C1=CCC=C(C(C)(C)C)C1N
InChIInChI=1S/C15H27N/c1-7-15(5,6)12-10-8-9-11(13(12)16)14(2,3)4/h9-10,13H,7-8,16H2,1-6H3
InChIKeySVCDDRFIVSVHDZ-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

poly(beta-D-mannuronate) lyase
CID 168356126
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
Menthenamine
CID 129691874
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
(1R,2S)-1-[(4R)-4-fluorocyclohexen-1-yl]-2,4-dimethylpentane-1,4-diamine
CID 118018657
[3-Ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine
CID 163480796
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-amine;hydrochloride
CID 54603890
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-amine
CID 245838
3-Buten-2-amine, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 5365160
(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dien-1-amine
CID 5326493
5-Isopropenyl-2-methyl-cyclohex-2-enylamine
CID 4137734

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine?
The IUPAC name of 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine (CID 143639582) is 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine?
The canonical SMILES for 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine is CCC(C)(C)C1=CCC=C(C(C)(C)C)C1N.
What is the InChIKey of 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine?
The InChIKey is SVCDDRFIVSVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-7-15(5,6)12-10-8-9-11(13(12)16)14(2,3)4/h9-10,13H,7-8,16H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine?
2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methylbutan-2-yl)cyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 143639582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).