N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine

C18H36NP — CID 134396516

IUPACN-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine
SMILESCN(CP(C1CCCCC1)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H36NP/c1-18(2,3)19(4)15-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,5-15H2,1-4H3
InChIKeyKWRFSRWVHIFKIQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.82
Rot. Bonds4

About N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine

N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine (PubChem CID 134396516) has the molecular formula C18H36NP and a molecular weight of 297.47 g/mol. Its IUPAC name is N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine
PubChem CID134396516
Molecular FormulaC18H36NP
Molecular Weight297.47 g/mol
Exact Mass297.26
IUPAC NameN-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine
SMILESCN(CP(C1CCCCC1)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H36NP/c1-18(2,3)19(4)15-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,5-15H2,1-4H3
InChIKeyKWRFSRWVHIFKIQ-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.82
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 N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine (CID 134396516) is N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine is CN(CP(C1CCCCC1)C1CCCCC1)C(C)(C)C.
What is the InChIKey of N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine?
The InChIKey is KWRFSRWVHIFKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36NP/c1-18(2,3)19(4)15-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,5-15H2,1-4H3.
What are the key properties of N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine?
N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine has a molecular weight of 297.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 134396516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).