1-N,2-N-dipropylpropane-1,2-diimine

C9H18N2 — CID 12958249

IUPAC1-N,2-N-dipropylpropane-1,2-diimine
SMILESCCC/N=C/C(C)=N/CCC
InChIInChI=1S/C9H18N2/c1-4-6-10-8-9(3)11-7-5-2/h8H,4-7H2,1-3H3/b10-8+,11-9+
InChIKeyFLSDNVOWZVCNSY-GFULKKFKSA-N
MW154.26 g/mol
LogP2.34
Rot. Bonds5

About 1-N,2-N-dipropylpropane-1,2-diimine

1-N,2-N-dipropylpropane-1,2-diimine (PubChem CID 12958249) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N,2-N-dipropylpropane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dipropylpropane-1,2-diimine
PubChem CID12958249
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N,2-N-dipropylpropane-1,2-diimine
SMILESCCC/N=C/C(C)=N/CCC
InChIInChI=1S/C9H18N2/c1-4-6-10-8-9(3)11-7-5-2/h8H,4-7H2,1-3H3/b10-8+,11-9+
InChIKeyFLSDNVOWZVCNSY-GFULKKFKSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dipropylpropane-1,2-diimine?
The IUPAC name of 1-N,2-N-dipropylpropane-1,2-diimine (CID 12958249) is 1-N,2-N-dipropylpropane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dipropylpropane-1,2-diimine?
The canonical SMILES for 1-N,2-N-dipropylpropane-1,2-diimine is CCC/N=C/C(C)=N/CCC.
What is the InChIKey of 1-N,2-N-dipropylpropane-1,2-diimine?
The InChIKey is FLSDNVOWZVCNSY-GFULKKFKSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-10-8-9(3)11-7-5-2/h8H,4-7H2,1-3H3/b10-8+,11-9+.
What are the key properties of 1-N,2-N-dipropylpropane-1,2-diimine?
1-N,2-N-dipropylpropane-1,2-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dipropylpropane-1,2-diimine is sourced from PubChem (CID 12958249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).