N-ethyl-N'-propylethane-1,2-diamine

C7H18N2 — CID 7171936

IUPACN-ethyl-N'-propylethane-1,2-diamine
SMILESCCCNCCNCC
InChIInChI=1S/C7H18N2/c1-3-5-9-7-6-8-4-2/h8-9H,3-7H2,1-2H3
InChIKeyOERPOZXBQMJPHK-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.60
Rot. Bonds6

About N-ethyl-N'-propylethane-1,2-diamine

N-ethyl-N'-propylethane-1,2-diamine (PubChem CID 7171936) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-propylethane-1,2-diamine
PubChem CID7171936
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN-ethyl-N'-propylethane-1,2-diamine
SMILESCCCNCCNCC
InChIInChI=1S/C7H18N2/c1-3-5-9-7-6-8-4-2/h8-9H,3-7H2,1-2H3
InChIKeyOERPOZXBQMJPHK-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-propylethane-1,2-diamine (CID 7171936) is N-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-propylethane-1,2-diamine is CCCNCCNCC.
What is the InChIKey of N-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is OERPOZXBQMJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-5-9-7-6-8-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N'-propylethane-1,2-diamine?
N-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 7171936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).