molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine

C6H13N — CID 142000958

IUPACmolecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(C)C.[H][H]
InChIInChI=1S/C6H11N.H2/c1-4-5-7-6(2)3;/h4-5H,1-3H3;1H/b5-4-;
InChIKeyXBSTWWUMLJYIDI-MKWAYWHRSA-N
MW99.18 g/mol
LogP2.25
Rot. Bonds1

About molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine

molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine (PubChem CID 142000958) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Namemolecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine
PubChem CID142000958
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Namemolecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(C)C.[H][H]
InChIInChI=1S/C6H11N.H2/c1-4-5-7-6(2)3;/h4-5H,1-3H3;1H/b5-4-;
InChIKeyXBSTWWUMLJYIDI-MKWAYWHRSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine?
The IUPAC name of molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine (CID 142000958) is molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine?
The canonical SMILES for molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine is C/C=C\N=C(C)C.[H][H].
What is the InChIKey of molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine?
The InChIKey is XBSTWWUMLJYIDI-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H11N.H2/c1-4-5-7-6(2)3;/h4-5H,1-3H3;1H/b5-4-;.
What are the key properties of molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine?
molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine has a molecular weight of 99.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(Z)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 142000958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).