[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane

C8H21ClN2P2 — CID 170059366

IUPAC[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane
SMILESCC(Cl)(N=P(C)(C)C)N=P(C)(C)C
InChIInChI=1S/C8H21ClN2P2/c1-8(9,10-12(2,3)4)11-13(5,6)7/h1-7H3
InChIKeyYMSRYMAOFQEAEV-UHFFFAOYSA-N
MW242.67 g/mol
LogP4.08
Rot. Bonds2

About [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane

[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane (PubChem CID 170059366) has the molecular formula C8H21ClN2P2 and a molecular weight of 242.67 g/mol. Its IUPAC name is [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane.

Molecular Properties

Compound Name[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane
PubChem CID170059366
Molecular FormulaC8H21ClN2P2
Molecular Weight242.67 g/mol
Exact Mass242.09
IUPAC Name[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane
SMILESCC(Cl)(N=P(C)(C)C)N=P(C)(C)C
InChIInChI=1S/C8H21ClN2P2/c1-8(9,10-12(2,3)4)11-13(5,6)7/h1-7H3
InChIKeyYMSRYMAOFQEAEV-UHFFFAOYSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
CID 170059377
2,2-dichloropropane;zinc
CID 162195997
2,2-dichloropropanenitrile
CID 5058831
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
CID 19814535
4,4,4-trichloro-2,3,3-trimethylbut-1-ene
CID 12632777
chloromethane;2,2-dimethylpropane
CID 142899692
1,1-dichloro-1-iodoethane
CID 23510619
3,3-dichloro-2-methylidenebutanoic acid
CID 19901725
nitrous acid;1,1,1-trichloroethane
CID 174484765
2,3-dichloro-3-methylbut-1-ene
CID 12615568
1-chloro-1,1-difluoroethane;hydrate
CID 22410972

Frequently Asked Questions

What is the IUPAC name of [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane?
The IUPAC name of [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane (CID 170059366) is [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane.
What is the SMILES notation for [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane?
The canonical SMILES for [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane is CC(Cl)(N=P(C)(C)C)N=P(C)(C)C.
What is the InChIKey of [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane?
The InChIKey is YMSRYMAOFQEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21ClN2P2/c1-8(9,10-12(2,3)4)11-13(5,6)7/h1-7H3.
What are the key properties of [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane?
[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane has a molecular weight of 242.67 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane is sourced from PubChem (CID 170059366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).