4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine

C16H29N — CID 143331042

IUPAC4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine
SMILESCCC1CCC(CCC2C=CC(N)CC2)CC1
InChIInChI=1S/C16H29N/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(17)12-10-15/h9,11,13-16H,2-8,10,12,17H2,1H3
InChIKeyMCXCLVNIGFJDEN-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.28
Rot. Bonds4

About 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine

4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine (PubChem CID 143331042) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine
PubChem CID143331042
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine
SMILESCCC1CCC(CCC2C=CC(N)CC2)CC1
InChIInChI=1S/C16H29N/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(17)12-10-15/h9,11,13-16H,2-8,10,12,17H2,1H3
InChIKeyMCXCLVNIGFJDEN-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.28
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

3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
CID 45078780
ethanamine;ethylcyclopropane
CID 70018487
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123661068
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine (CID 143331042) is 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine is CCC1CCC(CCC2C=CC(N)CC2)CC1.
What is the InChIKey of 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is MCXCLVNIGFJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(17)12-10-15/h9,11,13-16H,2-8,10,12,17H2,1H3.
What are the key properties of 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 143331042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).