1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine

C9H21N2P — CID 12856496

IUPAC1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(=PC(C)(C)C)N(C)C
InChIInChI=1S/C9H21N2P/c1-9(2,3)12-8(10(4)5)11(6)7/h1-7H3
InChIKeyVMNDMWQVZQDHMN-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.94
Rot. Bonds2

About 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine

1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine (PubChem CID 12856496) has the molecular formula C9H21N2P and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine.

Molecular Properties

Compound Name1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine
PubChem CID12856496
Molecular FormulaC9H21N2P
Molecular Weight188.25 g/mol
Exact Mass188.14
IUPAC Name1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(=PC(C)(C)C)N(C)C
InChIInChI=1S/C9H21N2P/c1-9(2,3)12-8(10(4)5)11(6)7/h1-7H3
InChIKeyVMNDMWQVZQDHMN-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine?
The IUPAC name of 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine (CID 12856496) is 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine.
What is the SMILES notation for 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine?
The canonical SMILES for 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine is CN(C)C(=PC(C)(C)C)N(C)C.
What is the InChIKey of 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine?
The InChIKey is VMNDMWQVZQDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2P/c1-9(2,3)12-8(10(4)5)11(6)7/h1-7H3.
What are the key properties of 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine?
1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine has a molecular weight of 188.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylphosphanylidene-N,N,N',N'-tetramethylmethanediamine is sourced from PubChem (CID 12856496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).