1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine

C26H38NP — CID 66746742

IUPAC1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(P(C2CCCCC2)C2CCCCC2)C=CC=CC1c1ccccc1
InChIInChI=1S/C26H38NP/c1-27(2)26(21-13-12-20-25(26)22-14-6-3-7-15-22)28(23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3,6-7,12-15,20-21,23-25H,4-5,8-11,16-19H2,1-2H3
InChIKeyKLBBCAJHMLKJCO-UHFFFAOYSA-N
MW395.57 g/mol
LogP7.30
Rot. Bonds5

About 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine

1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine (PubChem CID 66746742) has the molecular formula C26H38NP and a molecular weight of 395.57 g/mol. Its IUPAC name is 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine
PubChem CID66746742
Molecular FormulaC26H38NP
Molecular Weight395.57 g/mol
Exact Mass395.27
IUPAC Name1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(P(C2CCCCC2)C2CCCCC2)C=CC=CC1c1ccccc1
InChIInChI=1S/C26H38NP/c1-27(2)26(21-13-12-20-25(26)22-14-6-3-7-15-22)28(23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3,6-7,12-15,20-21,23-25H,4-5,8-11,16-19H2,1-2H3
InChIKeyKLBBCAJHMLKJCO-UHFFFAOYSA-N
XLogP7.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine (CID 66746742) is 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine is CN(C)C1(P(C2CCCCC2)C2CCCCC2)C=CC=CC1c1ccccc1.
What is the InChIKey of 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine?
The InChIKey is KLBBCAJHMLKJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38NP/c1-27(2)26(21-13-12-20-25(26)22-14-6-3-7-15-22)28(23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3,6-7,12-15,20-21,23-25H,4-5,8-11,16-19H2,1-2H3.
What are the key properties of 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine?
1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine has a molecular weight of 395.57 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 66746742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).