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

C12H28ClN2OP — CID 12506604

IUPACN-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(Cl)N(CCC)CCC
InChIInChI=1S/C12H28ClN2OP/c1-5-9-14(10-6-2)17(13,16)15(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyRJNZCJNLFGORPB-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.58
Rot. Bonds10

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

N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine (PubChem CID 12506604) has the molecular formula C12H28ClN2OP and a molecular weight of 282.80 g/mol. Its IUPAC name is N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine
PubChem CID12506604
Molecular FormulaC12H28ClN2OP
Molecular Weight282.80 g/mol
Exact Mass282.16
IUPAC NameN-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(Cl)N(CCC)CCC
InChIInChI=1S/C12H28ClN2OP/c1-5-9-14(10-6-2)17(13,16)15(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyRJNZCJNLFGORPB-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.58
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-(dipropylamino)phosphoryl]-N-propylpropan-1-amine?
The IUPAC name of N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine (CID 12506604) is N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine?
The canonical SMILES for N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine is CCCN(CCC)P(=O)(Cl)N(CCC)CCC.
What is the InChIKey of N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine?
The InChIKey is RJNZCJNLFGORPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28ClN2OP/c1-5-9-14(10-6-2)17(13,16)15(11-7-3)12-8-4/h5-12H2,1-4H3.
What are the key properties of N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine?
N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine has a molecular weight of 282.80 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(dipropylamino)phosphoryl]-N-propylpropan-1-amine is sourced from PubChem (CID 12506604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).