propane;propane-1,3-diimine

C6H14N2 — CID 142057441

IUPACpropane;propane-1,3-diimine
SMILESCCC.[H]/N=C/C/C=N/[H]
InChIInChI=1S/C3H6N2.C3H8/c4-2-1-3-5;1-3-2/h2-5H,1H2;3H2,1-2H3/b4-2+,5-3+;
InChIKeyVTUIYJHAUXUBNP-BJMABRHOSA-N
MW114.19 g/mol
LogP2.09
Rot. Bonds2

About propane;propane-1,3-diimine

propane;propane-1,3-diimine (PubChem CID 142057441) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is propane;propane-1,3-diimine.

Molecular Properties

Compound Namepropane;propane-1,3-diimine
PubChem CID142057441
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namepropane;propane-1,3-diimine
SMILESCCC.[H]/N=C/C/C=N/[H]
InChIInChI=1S/C3H6N2.C3H8/c4-2-1-3-5;1-3-2/h2-5H,1H2;3H2,1-2H3/b4-2+,5-3+;
InChIKeyVTUIYJHAUXUBNP-BJMABRHOSA-N
XLogP2.09
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propane-1,3-diimine
CID 18934492
propane;propan-1-imine
CID 175287004
4-iminobutan-2-one
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deca-4,7-dien-1-imine
CID 123827907
methanimidoyl methanimidothioate;propane
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(3Z)-hexa-3,5-dien-1-imine
CID 91265074
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CID 158895938
2-trimethylsilylethanimine
CID 59906390
(3E)-3-ethylhexa-3,5-dien-1-imine
CID 163913850
hexan-1-imine;platinum;dihydrate
CID 175690790
3,3-difluoropentan-1-imine
CID 155280926
(E)-5-iminopent-2-enoic acid
CID 166746904

Frequently Asked Questions

What is the IUPAC name of propane;propane-1,3-diimine?
The IUPAC name of propane;propane-1,3-diimine (CID 142057441) is propane;propane-1,3-diimine.
What is the SMILES notation for propane;propane-1,3-diimine?
The canonical SMILES for propane;propane-1,3-diimine is CCC.[H]/N=C/C/C=N/[H].
What is the InChIKey of propane;propane-1,3-diimine?
The InChIKey is VTUIYJHAUXUBNP-BJMABRHOSA-N. The full InChI is InChI=1S/C3H6N2.C3H8/c4-2-1-3-5;1-3-2/h2-5H,1H2;3H2,1-2H3/b4-2+,5-3+;.
What are the key properties of propane;propane-1,3-diimine?
propane;propane-1,3-diimine has a molecular weight of 114.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propane-1,3-diimine is sourced from PubChem (CID 142057441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).