2-propylimino-N-(2-propyliminoethyl)ethanamine

C10H21N3 — CID 88610294

IUPAC2-propylimino-N-(2-propyliminoethyl)ethanamine
SMILESCCC/N=C/CNC/C=N/CCC
InChIInChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-8,13H,3-6,9-10H2,1-2H3/b11-7+,12-8+
InChIKeyVVVWKCSKYGWAJL-MKICQXMISA-N
MW183.30 g/mol
LogP1.54
Rot. Bonds8

About 2-propylimino-N-(2-propyliminoethyl)ethanamine

2-propylimino-N-(2-propyliminoethyl)ethanamine (PubChem CID 88610294) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-propylimino-N-(2-propyliminoethyl)ethanamine.

Molecular Properties

Compound Name2-propylimino-N-(2-propyliminoethyl)ethanamine
PubChem CID88610294
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-propylimino-N-(2-propyliminoethyl)ethanamine
SMILESCCC/N=C/CNC/C=N/CCC
InChIInChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-8,13H,3-6,9-10H2,1-2H3/b11-7+,12-8+
InChIKeyVVVWKCSKYGWAJL-MKICQXMISA-N
XLogP1.54
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propylimino-N-(2-propyliminoethyl)ethanamine?
The IUPAC name of 2-propylimino-N-(2-propyliminoethyl)ethanamine (CID 88610294) is 2-propylimino-N-(2-propyliminoethyl)ethanamine.
What is the SMILES notation for 2-propylimino-N-(2-propyliminoethyl)ethanamine?
The canonical SMILES for 2-propylimino-N-(2-propyliminoethyl)ethanamine is CCC/N=C/CNC/C=N/CCC.
What is the InChIKey of 2-propylimino-N-(2-propyliminoethyl)ethanamine?
The InChIKey is VVVWKCSKYGWAJL-MKICQXMISA-N. The full InChI is InChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-8,13H,3-6,9-10H2,1-2H3/b11-7+,12-8+.
What are the key properties of 2-propylimino-N-(2-propyliminoethyl)ethanamine?
2-propylimino-N-(2-propyliminoethyl)ethanamine has a molecular weight of 183.30 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylimino-N-(2-propyliminoethyl)ethanamine is sourced from PubChem (CID 88610294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).