3-dicyclohexylphosphanylpropan-1-amine

C15H30NP — CID 68903820

IUPAC3-dicyclohexylphosphanylpropan-1-amine
SMILESNCCCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H30NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13,16H2
InChIKeyXBAOOPXNWMIDTL-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.48
Rot. Bonds5

About 3-dicyclohexylphosphanylpropan-1-amine

3-dicyclohexylphosphanylpropan-1-amine (PubChem CID 68903820) has the molecular formula C15H30NP and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-dicyclohexylphosphanylpropan-1-amine.

Molecular Properties

Compound Name3-dicyclohexylphosphanylpropan-1-amine
PubChem CID68903820
Molecular FormulaC15H30NP
Molecular Weight255.39 g/mol
Exact Mass255.21
IUPAC Name3-dicyclohexylphosphanylpropan-1-amine
SMILESNCCCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H30NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13,16H2
InChIKeyXBAOOPXNWMIDTL-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
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 3-dicyclohexylphosphanylpropan-1-amine?
The IUPAC name of 3-dicyclohexylphosphanylpropan-1-amine (CID 68903820) is 3-dicyclohexylphosphanylpropan-1-amine.
What is the SMILES notation for 3-dicyclohexylphosphanylpropan-1-amine?
The canonical SMILES for 3-dicyclohexylphosphanylpropan-1-amine is NCCCP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-dicyclohexylphosphanylpropan-1-amine?
The InChIKey is XBAOOPXNWMIDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13,16H2.
What are the key properties of 3-dicyclohexylphosphanylpropan-1-amine?
3-dicyclohexylphosphanylpropan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dicyclohexylphosphanylpropan-1-amine is sourced from PubChem (CID 68903820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).