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

C9H21ClNOP — CID 86168779

IUPACN-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(Cl)CCC
InChIInChI=1S/C9H21ClNOP/c1-4-7-11(8-5-2)13(10,12)9-6-3/h4-9H2,1-3H3
InChIKeyIHYGTHPICXGZGX-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.95
Rot. Bonds7

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

N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine (PubChem CID 86168779) has the molecular formula C9H21ClNOP and a molecular weight of 225.70 g/mol. Its IUPAC name is N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine
PubChem CID86168779
Molecular FormulaC9H21ClNOP
Molecular Weight225.70 g/mol
Exact Mass225.10
IUPAC NameN-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(Cl)CCC
InChIInChI=1S/C9H21ClNOP/c1-4-7-11(8-5-2)13(10,12)9-6-3/h4-9H2,1-3H3
InChIKeyIHYGTHPICXGZGX-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[diethylamino(propan-2-yl)phosphoryl]-N-ethylethanamine
CID 15263914
N-[fluoro(propyl)phosphoryl]-N-propylpropan-1-amine
CID 102508198
N-[diethylamino(ethyl)phosphoryl]-N-ethylethanamine
CID 14201679
N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine
CID 15263913
N-[butyl(fluoro)phosphoryl]-N-ethylethanamine
CID 131857203
N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine
CID 170850802
N-[chloro(ethyl)phosphoryl]-N-propylpropan-1-amine
CID 170850815
P,P-dibutyl-N,N-diethylphosphinic amide
CID 2172704
N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine
CID 12506604
N-diethylphosphoryl-N-ethylethanamine
CID 14289042
[Bis(2-methylpropyl)amino]-chloro-oxophosphanium
CID 18689409
N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine
CID 19745761

Frequently Asked Questions

What is the IUPAC name of N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine?
The IUPAC name of N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine (CID 86168779) is N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine?
The canonical SMILES for N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine is CCCN(CCC)P(=O)(Cl)CCC.
What is the InChIKey of N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine?
The InChIKey is IHYGTHPICXGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClNOP/c1-4-7-11(8-5-2)13(10,12)9-6-3/h4-9H2,1-3H3.
What are the key properties of N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine?
N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine has a molecular weight of 225.70 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(propyl)phosphoryl]-N-propylpropan-1-amine is sourced from PubChem (CID 86168779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).