6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine

C13H25N — CID 166866493

IUPAC6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine
SMILESCC(C)C1C=CCC(C)(C(C)C)C1N
InChIInChI=1S/C13H25N/c1-9(2)11-7-6-8-13(5,10(3)4)12(11)14/h6-7,9-12H,8,14H2,1-5H3
InChIKeyYLCMURVZFVQOEB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.21
Rot. Bonds2

About 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine

6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine (PubChem CID 166866493) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine
PubChem CID166866493
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine
SMILESCC(C)C1C=CCC(C)(C(C)C)C1N
InChIInChI=1S/C13H25N/c1-9(2)11-7-6-8-13(5,10(3)4)12(11)14/h6-7,9-12H,8,14H2,1-5H3
InChIKeyYLCMURVZFVQOEB-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.21
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

(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
4-propan-2-yl-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 564529
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
3-methyl-4-propan-2-ylcyclohepta-1,5-dien-1-amine
CID 170370508
1-methylcyclopropane-1,2,3-triamine
CID 163904501
N,2-dimethyl-2-propan-2-ylcyclopropan-1-amine
CID 130855710
5-propan-2-yl-2-oxaspiro[3.4]oct-6-ene
CID 166008521
(3S)-3,4,4-trimethylcyclopentene
CID 145186041
3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene
CID 123641369
(3aS,6aR)-6a-propan-2-yl-2,3,3a,6-tetrahydro-1H-pentalene
CID 97302755
2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
CID 126624394
5-methyl-6-oxabicyclo[3.1.0]hex-2-ene
CID 154095196

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine (CID 166866493) is 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine is CC(C)C1C=CCC(C)(C(C)C)C1N.
What is the InChIKey of 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is YLCMURVZFVQOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)11-7-6-8-13(5,10(3)4)12(11)14/h6-7,9-12H,8,14H2,1-5H3.
What are the key properties of 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine?
6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-di(propan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 166866493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).