N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine

C9H22N3P — CID 12730253

IUPACN,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine
SMILESCCN(CC)P1N(C)CCCN1C
InChIInChI=1S/C9H22N3P/c1-5-12(6-2)13-10(3)8-7-9-11(13)4/h5-9H2,1-4H3
InChIKeyAJQCLZMYIBWMBX-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.82
Rot. Bonds3

About N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine

N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine (PubChem CID 12730253) has the molecular formula C9H22N3P and a molecular weight of 203.27 g/mol. Its IUPAC name is N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine
PubChem CID12730253
Molecular FormulaC9H22N3P
Molecular Weight203.27 g/mol
Exact Mass203.16
IUPAC NameN,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine
SMILESCCN(CC)P1N(C)CCCN1C
InChIInChI=1S/C9H22N3P/c1-5-12(6-2)13-10(3)8-7-9-11(13)4/h5-9H2,1-4H3
InChIKeyAJQCLZMYIBWMBX-UHFFFAOYSA-N
XLogP1.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine?
The IUPAC name of N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine (CID 12730253) is N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine.
What is the SMILES notation for N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine?
The canonical SMILES for N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine is CCN(CC)P1N(C)CCCN1C.
What is the InChIKey of N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine?
The InChIKey is AJQCLZMYIBWMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N3P/c1-5-12(6-2)13-10(3)8-7-9-11(13)4/h5-9H2,1-4H3.
What are the key properties of N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine?
N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine has a molecular weight of 203.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3-dimethyl-1,3,2-diazaphosphinan-2-amine is sourced from PubChem (CID 12730253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).