4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine

C18H24N2 — CID 174475257

IUPAC4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine
SMILESNC1(N)C=CC(c2ccccc2)(C2CCCCC2)C=C1
InChIInChI=1S/C18H24N2/c19-18(20)13-11-17(12-14-18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10,19-20H2
InChIKeyQYSNHYNWZUXUHN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.24
Rot. Bonds2

About 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine

4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine (PubChem CID 174475257) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine.

Molecular Properties

Compound Name4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine
PubChem CID174475257
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine
SMILESNC1(N)C=CC(c2ccccc2)(C2CCCCC2)C=C1
InChIInChI=1S/C18H24N2/c19-18(20)13-11-17(12-14-18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10,19-20H2
InChIKeyQYSNHYNWZUXUHN-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine?
The IUPAC name of 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine (CID 174475257) is 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine.
What is the SMILES notation for 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine?
The canonical SMILES for 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine is NC1(N)C=CC(c2ccccc2)(C2CCCCC2)C=C1.
What is the InChIKey of 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine?
The InChIKey is QYSNHYNWZUXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-18(20)13-11-17(12-14-18,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10,19-20H2.
What are the key properties of 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine?
4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-phenylcyclohexa-2,5-diene-1,1-diamine is sourced from PubChem (CID 174475257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).