4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine

C24H37N — CID 134316428

IUPAC4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine
SMILESC1=CCCC(C2CC=C(NC3CCC(C4CCCCC4)CC3)CC2)=C1
InChIInChI=1S/C24H37N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1,3,7,15,20-22,24-25H,2,4-6,8-14,16-18H2
InChIKeyZMSCBNNMGYHMMJ-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.68
Rot. Bonds4

About 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine

4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine (PubChem CID 134316428) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine
PubChem CID134316428
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine
SMILESC1=CCCC(C2CC=C(NC3CCC(C4CCCCC4)CC3)CC2)=C1
InChIInChI=1S/C24H37N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1,3,7,15,20-22,24-25H,2,4-6,8-14,16-18H2
InChIKeyZMSCBNNMGYHMMJ-UHFFFAOYSA-N
XLogP6.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine (CID 134316428) is 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine is C1=CCCC(C2CC=C(NC3CCC(C4CCCCC4)CC3)CC2)=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine?
The InChIKey is ZMSCBNNMGYHMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1,3,7,15,20-22,24-25H,2,4-6,8-14,16-18H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine?
4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine has a molecular weight of 339.57 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine is sourced from PubChem (CID 134316428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).