N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine

C12H28N2S2 — CID 20539898

IUPACN-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)SSN(CCC)CCC
InChIInChI=1S/C12H28N2S2/c1-5-9-13(10-6-2)15-16-14(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyDXHKYTGYLLQFHU-UHFFFAOYSA-N
MW264.50 g/mol
LogP4.44
Rot. Bonds11

About N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine

N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine (PubChem CID 20539898) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine
PubChem CID20539898
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC NameN-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)SSN(CCC)CCC
InChIInChI=1S/C12H28N2S2/c1-5-9-13(10-6-2)15-16-14(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyDXHKYTGYLLQFHU-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine (CID 20539898) is N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine is CCCN(CCC)SSN(CCC)CCC.
What is the InChIKey of N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine?
The InChIKey is DXHKYTGYLLQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-5-9-13(10-6-2)15-16-14(11-7-3)12-8-4/h5-12H2,1-4H3.
What are the key properties of N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine?
N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine has a molecular weight of 264.50 g/mol, XLogP of 4.44, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)disulfanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 20539898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).