N-benzyl-2-dicyclohexylphosphanylethanamine

C21H34NP — CID 139967235

IUPACN-benzyl-2-dicyclohexylphosphanylethanamine
SMILESc1ccc(CNCCP(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H34NP/c1-4-10-19(11-5-1)18-22-16-17-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,20-22H,2-3,6-9,12-18H2
InChIKeyHUVVCBWOMISYRD-UHFFFAOYSA-N
MW331.48 g/mol
LogP5.92
Rot. Bonds7

About N-benzyl-2-dicyclohexylphosphanylethanamine

N-benzyl-2-dicyclohexylphosphanylethanamine (PubChem CID 139967235) has the molecular formula C21H34NP and a molecular weight of 331.48 g/mol. Its IUPAC name is N-benzyl-2-dicyclohexylphosphanylethanamine.

Molecular Properties

Compound NameN-benzyl-2-dicyclohexylphosphanylethanamine
PubChem CID139967235
Molecular FormulaC21H34NP
Molecular Weight331.48 g/mol
Exact Mass331.24
IUPAC NameN-benzyl-2-dicyclohexylphosphanylethanamine
SMILESc1ccc(CNCCP(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H34NP/c1-4-10-19(11-5-1)18-22-16-17-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,20-22H,2-3,6-9,12-18H2
InChIKeyHUVVCBWOMISYRD-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro(dihydrido)iridium;bis(2-dicyclohexylphosphanyl-N-(2-dicyclohexylphosphanylethyl)ethanamine)
CID 158559176
N-benzyl-N'-cyclobutylethane-1,2-diamine
CID 71627766
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
benzene;N-benzylcyclohexanamine
CID 142622843
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
3-dicyclohexylphosphanyl-N-phenylpropan-1-imine
CID 67580139
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N-benzyl-2-dibutylphosphanylethanamine
CID 139967291
(R)-benzyl-cyclohexyl-methylphosphane
CID 15419907

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-dicyclohexylphosphanylethanamine?
The IUPAC name of N-benzyl-2-dicyclohexylphosphanylethanamine (CID 139967235) is N-benzyl-2-dicyclohexylphosphanylethanamine.
What is the SMILES notation for N-benzyl-2-dicyclohexylphosphanylethanamine?
The canonical SMILES for N-benzyl-2-dicyclohexylphosphanylethanamine is c1ccc(CNCCP(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-2-dicyclohexylphosphanylethanamine?
The InChIKey is HUVVCBWOMISYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34NP/c1-4-10-19(11-5-1)18-22-16-17-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,20-22H,2-3,6-9,12-18H2.
What are the key properties of N-benzyl-2-dicyclohexylphosphanylethanamine?
N-benzyl-2-dicyclohexylphosphanylethanamine has a molecular weight of 331.48 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-dicyclohexylphosphanylethanamine is sourced from PubChem (CID 139967235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).