chloro(dodecyl)phosphane;N,N-dimethylmethanamine

C15H35ClNP — CID 174595600

IUPACchloro(dodecyl)phosphane;N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCPCl.CN(C)C
InChIInChI=1S/C12H26ClP.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h14H,2-12H2,1H3;1-3H3
InChIKeyBIAHUXJWXCVVRJ-UHFFFAOYSA-N
MW295.88 g/mol
LogP5.92
Rot. Bonds11

About chloro(dodecyl)phosphane;N,N-dimethylmethanamine

chloro(dodecyl)phosphane;N,N-dimethylmethanamine (PubChem CID 174595600) has the molecular formula C15H35ClNP and a molecular weight of 295.88 g/mol. Its IUPAC name is chloro(dodecyl)phosphane;N,N-dimethylmethanamine.

Molecular Properties

Compound Namechloro(dodecyl)phosphane;N,N-dimethylmethanamine
PubChem CID174595600
Molecular FormulaC15H35ClNP
Molecular Weight295.88 g/mol
Exact Mass295.22
IUPAC Namechloro(dodecyl)phosphane;N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCPCl.CN(C)C
InChIInChI=1S/C12H26ClP.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h14H,2-12H2,1H3;1-3H3
InChIKeyBIAHUXJWXCVVRJ-UHFFFAOYSA-N
XLogP5.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.88
LogP ≤ 55.92
H-Bond Donors ≤ 50
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(hexadecyl)phosphane
CID 141387037
N,N-dimethylmethanamine;tridecane
CID 174432259
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
mercury;nonane
CID 174664970
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
decyl(undecyl)phosphane
CID 87830755
docosyl(docosylphosphanyl)phosphane
CID 21095052
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
octyl(pentylphosphanyl)phosphane
CID 21095189

Frequently Asked Questions

What is the IUPAC name of chloro(dodecyl)phosphane;N,N-dimethylmethanamine?
The IUPAC name of chloro(dodecyl)phosphane;N,N-dimethylmethanamine (CID 174595600) is chloro(dodecyl)phosphane;N,N-dimethylmethanamine.
What is the SMILES notation for chloro(dodecyl)phosphane;N,N-dimethylmethanamine?
The canonical SMILES for chloro(dodecyl)phosphane;N,N-dimethylmethanamine is CCCCCCCCCCCCPCl.CN(C)C.
What is the InChIKey of chloro(dodecyl)phosphane;N,N-dimethylmethanamine?
The InChIKey is BIAHUXJWXCVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClP.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h14H,2-12H2,1H3;1-3H3.
What are the key properties of chloro(dodecyl)phosphane;N,N-dimethylmethanamine?
chloro(dodecyl)phosphane;N,N-dimethylmethanamine has a molecular weight of 295.88 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dodecyl)phosphane;N,N-dimethylmethanamine is sourced from PubChem (CID 174595600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).