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'}

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

chloroplatinum(1+);dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane;2-methanidyl-2-methylpropane
CID 15830283
N-[cyclohexyl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 576684
silane;tricyclohexylphosphane
CID 158384701
2-dicyclohexylphosphanylethanamine
CID 77068327
6-dicyclohexylphosphanyl-3-(3-dicyclohexylphosphanylpropyl)-2-methylhex-3-en-2-amine
CID 57155539
tert-butyl(dicyclopentyl)phosphane;palladium
CID 87489753
1-tert-butyl-2-(cyclohexylmethyl)-1-methylhydrazine
CID 129238620
tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane
CID 177409079
3-dicyclohexylphosphanylpropan-1-amine
CID 68903820
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
dicyclohexyl(hexa-2,4-dienyl)phosphane
CID 141408933
tri(cyclododecyl)phosphane
CID 19065577

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).