propane;propan-1-imine

C6H15N — CID 175287004

IUPACpropane;propan-1-imine
SMILESCCC.[H]/N=C/CC
InChIInChI=1S/C3H7N.C3H8/c1-2-3-4;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3/b4-3+;
InChIKeyJFDFXGRZEGZOOG-BJILWQEISA-N
MW101.19 g/mol
LogP2.46
Rot. Bonds1

About propane;propan-1-imine

propane;propan-1-imine (PubChem CID 175287004) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is propane;propan-1-imine.

Molecular Properties

Compound Namepropane;propan-1-imine
PubChem CID175287004
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namepropane;propan-1-imine
SMILESCCC.[H]/N=C/CC
InChIInChI=1S/C3H7N.C3H8/c1-2-3-4;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3/b4-3+;
InChIKeyJFDFXGRZEGZOOG-BJILWQEISA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propane;propane-1,3-diimine
CID 142057441
propan-1-imine;trimethoxy(propyl)silane
CID 175151730
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butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine
CID 91511684
propane-1,3-diimine
CID 18934492
2-[methyl(propyl)phosphanyl]ethanimine
CID 155171186
3-ethylphosphanylbutan-1-imine
CID 123356939
1-methyl-3-(4-methylphenyl)benzene;propan-1-imine
CID 144963776
deca-4,7-dien-1-imine
CID 123827907
1-tritiopropan-1-imine
CID 59378071
methanimidoyl methanimidothioate;propane
CID 142059269
azane;hexan-1-imine
CID 158895938

Frequently Asked Questions

What is the IUPAC name of propane;propan-1-imine?
The IUPAC name of propane;propan-1-imine (CID 175287004) is propane;propan-1-imine.
What is the SMILES notation for propane;propan-1-imine?
The canonical SMILES for propane;propan-1-imine is CCC.[H]/N=C/CC.
What is the InChIKey of propane;propan-1-imine?
The InChIKey is JFDFXGRZEGZOOG-BJILWQEISA-N. The full InChI is InChI=1S/C3H7N.C3H8/c1-2-3-4;1-3-2/h3-4H,2H2,1H3;3H2,1-2H3/b4-3+;.
What are the key properties of propane;propan-1-imine?
propane;propan-1-imine has a molecular weight of 101.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propan-1-imine is sourced from PubChem (CID 175287004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).