N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine

C8H19ClNOP — CID 170850815

IUPACN-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(Cl)CC
InChIInChI=1S/C8H19ClNOP/c1-4-7-10(8-5-2)12(9,11)6-3/h4-8H2,1-3H3
InChIKeyKFZYUPQMVBCLQX-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.56
Rot. Bonds6

About N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine

N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine (PubChem CID 170850815) has the molecular formula C8H19ClNOP and a molecular weight of 211.67 g/mol. Its IUPAC name is N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine
PubChem CID170850815
Molecular FormulaC8H19ClNOP
Molecular Weight211.67 g/mol
Exact Mass211.09
IUPAC NameN-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(Cl)CC
InChIInChI=1S/C8H19ClNOP/c1-4-7-10(8-5-2)12(9,11)6-3/h4-8H2,1-3H3
InChIKeyKFZYUPQMVBCLQX-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine?
The IUPAC name of N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine (CID 170850815) is N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine?
The canonical SMILES for N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine is CCCN(CCC)P(=O)(Cl)CC.
What is the InChIKey of N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine?
The InChIKey is KFZYUPQMVBCLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClNOP/c1-4-7-10(8-5-2)12(9,11)6-3/h4-8H2,1-3H3.
What are the key properties of N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine?
N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine has a molecular weight of 211.67 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine is sourced from PubChem (CID 170850815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).