4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine

C13H23N — CID 139984381

IUPAC4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
SMILESCC1=CCCC(C)(C)C1C=CC(C)N
InChIInChI=1S/C13H23N/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12H,5,9,14H2,1-4H3
InChIKeyPHHPLBKWULSOSE-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.27
Rot. Bonds2

About 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine (PubChem CID 139984381) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine.

Molecular Properties

Compound Name4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
PubChem CID139984381
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
SMILESCC1=CCCC(C)(C)C1C=CC(C)N
InChIInChI=1S/C13H23N/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12H,5,9,14H2,1-4H3
InChIKeyPHHPLBKWULSOSE-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.27
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

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
Menthenamine
CID 129691874
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
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
[1-Methyl-3-(2,6,6-trimethyl-2-cyclohexenyl)-2(trans)-propenyl]dimethylamine
CID 21502510
N,N-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine
CID 53975560
(2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine
CID 175639588
5-Isopropenyl-2-methyl-cyclohex-2-enylamine
CID 4137734
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-amine
CID 45790768
o-(Cyclohex-2-enyl)-2,5-xylidine
CID 129746736
N,N,1,5,5,6-hexadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 168355301

Frequently Asked Questions

What is the IUPAC name of 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
The IUPAC name of 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine (CID 139984381) is 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine.
What is the SMILES notation for 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
The canonical SMILES for 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine is CC1=CCCC(C)(C)C1C=CC(C)N.
What is the InChIKey of 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
The InChIKey is PHHPLBKWULSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12H,5,9,14H2,1-4H3.
What are the key properties of 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine?
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine is sourced from PubChem (CID 139984381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).