1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine

C19H33N — CID 174119068

IUPAC1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine
SMILESC1=CCCCN(C2CCC(C3CCCC3)CC2)CCC1
InChIInChI=1S/C19H33N/c1-2-4-8-16-20(15-7-3-1)19-13-11-18(12-14-19)17-9-5-6-10-17/h1-2,17-19H,3-16H2
InChIKeyZEXHQWUSGFXAQZ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.17
Rot. Bonds2

About 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine

1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine (PubChem CID 174119068) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine.

Molecular Properties

Compound Name1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine
PubChem CID174119068
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine
SMILESC1=CCCCN(C2CCC(C3CCCC3)CC2)CCC1
InChIInChI=1S/C19H33N/c1-2-4-8-16-20(15-7-3-1)19-13-11-18(12-14-19)17-9-5-6-10-17/h1-2,17-19H,3-16H2
InChIKeyZEXHQWUSGFXAQZ-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,4E)-cyclooct-4-en-1-yl]pyrrolidine
CID 144561428
(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
CID 102449509
cyclododecene;cyclohexylcyclohexane
CID 173310836
(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene
CID 173264965
1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
1-cyclohexylpiperidine;methane
CID 143122486

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine?
The IUPAC name of 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine (CID 174119068) is 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine.
What is the SMILES notation for 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine?
The canonical SMILES for 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine is C1=CCCCN(C2CCC(C3CCCC3)CC2)CCC1.
What is the InChIKey of 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine?
The InChIKey is ZEXHQWUSGFXAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-2-4-8-16-20(15-7-3-1)19-13-11-18(12-14-19)17-9-5-6-10-17/h1-2,17-19H,3-16H2.
What are the key properties of 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine?
1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine has a molecular weight of 275.48 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine is sourced from PubChem (CID 174119068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).