1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine

C13H30ClN2OP — CID 139938439

IUPAC1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine
SMILESCC(C)N(C(C)C)C(OPCl)N(C(C)C)C(C)C
InChIInChI=1S/C13H30ClN2OP/c1-9(2)15(10(3)4)13(17-18-14)16(11(5)6)12(7)8/h9-13,18H,1-8H3
InChIKeyVPBYAGGRRVURCW-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.27
Rot. Bonds8

About 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine

1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine (PubChem CID 139938439) has the molecular formula C13H30ClN2OP and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine.

Molecular Properties

Compound Name1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine
PubChem CID139938439
Molecular FormulaC13H30ClN2OP
Molecular Weight296.82 g/mol
Exact Mass296.18
IUPAC Name1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine
SMILESCC(C)N(C(C)C)C(OPCl)N(C(C)C)C(C)C
InChIInChI=1S/C13H30ClN2OP/c1-9(2)15(10(3)4)13(17-18-14)16(11(5)6)12(7)8/h9-13,18H,1-8H3
InChIKeyVPBYAGGRRVURCW-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine?
The IUPAC name of 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine (CID 139938439) is 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine.
What is the SMILES notation for 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine?
The canonical SMILES for 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine is CC(C)N(C(C)C)C(OPCl)N(C(C)C)C(C)C.
What is the InChIKey of 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine?
The InChIKey is VPBYAGGRRVURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30ClN2OP/c1-9(2)15(10(3)4)13(17-18-14)16(11(5)6)12(7)8/h9-13,18H,1-8H3.
What are the key properties of 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine?
1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine has a molecular weight of 296.82 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorophosphanyloxy-N,N,N',N'-tetra(propan-2-yl)methanediamine is sourced from PubChem (CID 139938439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).