6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine

C34H63NP2 — CID 57155539

IUPAC6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine
SMILESCC(C)(N)C(=CCCP(C1CCCCC1)C1CCCCC1)CCCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H63NP2/c1-34(2,35)29(17-15-27-36(30-19-7-3-8-20-30)31-21-9-4-10-22-31)18-16-28-37(32-23-11-5-12-24-32)33-25-13-6-14-26-33/h17,30-33H,3-16,18-28,35H2,1-2H3
InChIKeyBWINGYXUYGKQND-UHFFFAOYSA-N
MW547.83 g/mol
LogP11.11
Rot. Bonds12

About 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine

6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine (PubChem CID 57155539) has the molecular formula C34H63NP2 and a molecular weight of 547.83 g/mol. Its IUPAC name is 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine.

Molecular Properties

Compound Name6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine
PubChem CID57155539
Molecular FormulaC34H63NP2
Molecular Weight547.83 g/mol
Exact Mass547.44
IUPAC Name6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine
SMILESCC(C)(N)C(=CCCP(C1CCCCC1)C1CCCCC1)CCCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H63NP2/c1-34(2,35)29(17-15-27-36(30-19-7-3-8-20-30)31-21-9-4-10-22-31)18-16-28-37(32-23-11-5-12-24-32)33-25-13-6-14-26-33/h17,30-33H,3-16,18-28,35H2,1-2H3
InChIKeyBWINGYXUYGKQND-UHFFFAOYSA-N
XLogP11.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.83
LogP ≤ 511.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dicyclohexylphosphanylpropan-1-amine
CID 68903820
chloroplatinum(1+);dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane;2-methanidyl-2-methylpropane
CID 15830283
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
2-dicyclohexylphosphanylethanol
CID 154117829
2-dicyclohexylphosphanylethanamine
CID 77068327
dicyclohexyl(6-phosphanylhexyl)phosphane
CID 151871346
di(cyclobutyl)-octylphosphane
CID 151646814
N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine
CID 134396516
dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane
CID 101105057
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
CID 90057473
3-dicyclohexylphosphanyl-N-phenylpropan-1-imine
CID 67580139
chloro(dihydrido)iridium;bis(2-dicyclohexylphosphanyl-N-(2-dicyclohexylphosphanylethyl)ethanamine)
CID 158559176

Frequently Asked Questions

What is the IUPAC name of 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine?
The IUPAC name of 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine (CID 57155539) is 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine.
What is the SMILES notation for 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine?
The canonical SMILES for 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine is CC(C)(N)C(=CCCP(C1CCCCC1)C1CCCCC1)CCCP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine?
The InChIKey is BWINGYXUYGKQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63NP2/c1-34(2,35)29(17-15-27-36(30-19-7-3-8-20-30)31-21-9-4-10-22-31)18-16-28-37(32-23-11-5-12-24-32)33-25-13-6-14-26-33/h17,30-33H,3-16,18-28,35H2,1-2H3.
What are the key properties of 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine?
6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine has a molecular weight of 547.83 g/mol, XLogP of 11.11, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine is sourced from PubChem (CID 57155539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).