N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine

C25H43N2P — CID 153316711

IUPACN'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine
SMILESCC(C)(C)NC(NCCc1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H43N2P/c1-25(2,3)27-24(26-20-19-21-13-7-4-8-14-21)28(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4,7-8,13-14,22-24,26-27H,5-6,9-12,15-20H2,1-3H3
InChIKeyYMRMNXNNOVATDV-UHFFFAOYSA-N
MW402.61 g/mol
LogP6.64
Rot. Bonds8

About N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine

N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine (PubChem CID 153316711) has the molecular formula C25H43N2P and a molecular weight of 402.61 g/mol. Its IUPAC name is N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine.

Molecular Properties

Compound NameN'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine
PubChem CID153316711
Molecular FormulaC25H43N2P
Molecular Weight402.61 g/mol
Exact Mass402.32
IUPAC NameN'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine
SMILESCC(C)(C)NC(NCCc1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H43N2P/c1-25(2,3)27-24(26-20-19-21-13-7-4-8-14-21)28(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4,7-8,13-14,22-24,26-27H,5-6,9-12,15-20H2,1-3H3
InChIKeyYMRMNXNNOVATDV-UHFFFAOYSA-N
XLogP6.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.61
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-dicyclohexylphosphanyl-N'-(2-phenylethyl)methanimidamide
CID 134396621
1-cyclohexyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 57365235
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
CID 11402379
CID 11402379
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine
CID 155215939
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
2-cyclopentyl-N-(2-phenylethyl)ethanamine
CID 54856926
2-phenylethylcyclooctane
CID 54073487
(R)-benzyl-cyclohexyl-methylphosphane
CID 15419907
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine?
The IUPAC name of N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine (CID 153316711) is N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine.
What is the SMILES notation for N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine?
The canonical SMILES for N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine is CC(C)(C)NC(NCCc1ccccc1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine?
The InChIKey is YMRMNXNNOVATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N2P/c1-25(2,3)27-24(26-20-19-21-13-7-4-8-14-21)28(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4,7-8,13-14,22-24,26-27H,5-6,9-12,15-20H2,1-3H3.
What are the key properties of N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine?
N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine has a molecular weight of 402.61 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-1-dicyclohexylphosphanyl-N-(2-phenylethyl)methanediamine is sourced from PubChem (CID 153316711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).