2,6-dimethyl-4-propylcyclohex-3-en-1-amine

C11H21N — CID 123458778

IUPAC2,6-dimethyl-4-propylcyclohex-3-en-1-amine
SMILESCCCC1=CC(C)C(N)C(C)C1
InChIInChI=1S/C11H21N/c1-4-5-10-6-8(2)11(12)9(3)7-10/h6,8-9,11H,4-5,7,12H2,1-3H3
InChIKeyPOWCEOPLIIWJPE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds2

About 2,6-dimethyl-4-propylcyclohex-3-en-1-amine

2,6-dimethyl-4-propylcyclohex-3-en-1-amine (PubChem CID 123458778) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-4-propylcyclohex-3-en-1-amine
PubChem CID123458778
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,6-dimethyl-4-propylcyclohex-3-en-1-amine
SMILESCCCC1=CC(C)C(N)C(C)C1
InChIInChI=1S/C11H21N/c1-4-5-10-6-8(2)11(12)9(3)7-10/h6,8-9,11H,4-5,7,12H2,1-3H3
InChIKeyPOWCEOPLIIWJPE-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
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

ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
CID 142361347
1-ethyl-4-hydroperoxy-3,5-dimethylcyclohexene
CID 89076598
(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
CID 89004722
5-methyl-2-propylbicyclo[2.2.0]hex-2-ene
CID 123734683
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
2-methyl-5-propyl-1,2,3,6-tetrahydropyridine
CID 90711400
(1R)-3-propylcyclohex-2-en-1-ol
CID 101101480
4,5-ditert-butyl-1-propylcyclohexene
CID 59036734
3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
CID 163991367
tert-butyl 2-[(1S,5R)-3-propyl-6-bicyclo[3.2.0]hept-3-enylidene]acetate
CID 86646125
(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene
CID 101214135
1,5-dimethyl-3-propylcyclopenta-1,3-diene
CID 18798416

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propylcyclohex-3-en-1-amine?
The IUPAC name of 2,6-dimethyl-4-propylcyclohex-3-en-1-amine (CID 123458778) is 2,6-dimethyl-4-propylcyclohex-3-en-1-amine.
What is the SMILES notation for 2,6-dimethyl-4-propylcyclohex-3-en-1-amine?
The canonical SMILES for 2,6-dimethyl-4-propylcyclohex-3-en-1-amine is CCCC1=CC(C)C(N)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-propylcyclohex-3-en-1-amine?
The InChIKey is POWCEOPLIIWJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-10-6-8(2)11(12)9(3)7-10/h6,8-9,11H,4-5,7,12H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-propylcyclohex-3-en-1-amine?
2,6-dimethyl-4-propylcyclohex-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 123458778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).