4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine

C18H24N2 — CID 175919182

IUPAC4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(C2CCCCC2)C(c2ccccc2)=C1
InChIInChI=1S/C18H24N2/c19-16-11-12-18(20,15-9-5-2-6-10-15)17(13-16)14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12,19-20H2
InChIKeyUOQIHKDQBHJDMC-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.59
Rot. Bonds2

About 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine

4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 175919182) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine
PubChem CID175919182
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(C2CCCCC2)C(c2ccccc2)=C1
InChIInChI=1S/C18H24N2/c19-16-11-12-18(20,15-9-5-2-6-10-15)17(13-16)14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12,19-20H2
InChIKeyUOQIHKDQBHJDMC-UHFFFAOYSA-N
XLogP3.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine (CID 175919182) is 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine is NC1=CCC(N)(C2CCCCC2)C(c2ccccc2)=C1.
What is the InChIKey of 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is UOQIHKDQBHJDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-16-11-12-18(20,15-9-5-2-6-10-15)17(13-16)14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12,19-20H2.
What are the key properties of 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine?
4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 175919182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).