2-methyl-N-[(E)-prop-1-enyl]propan-1-imine

C7H13N — CID 102268095

IUPAC2-methyl-N-[(E)-prop-1-enyl]propan-1-imine
SMILESC/C=C/N=C/C(C)C
InChIInChI=1S/C7H13N/c1-4-5-8-6-7(2)3/h4-7H,1-3H3/b5-4+,8-6+
InChIKeyNSUZHNRHDKAVQO-DVBIZMGNSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds2

About 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine

2-methyl-N-[(E)-prop-1-enyl]propan-1-imine (PubChem CID 102268095) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(E)-prop-1-enyl]propan-1-imine
PubChem CID102268095
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methyl-N-[(E)-prop-1-enyl]propan-1-imine
SMILESC/C=C/N=C/C(C)C
InChIInChI=1S/C7H13N/c1-4-5-8-6-7(2)3/h4-7H,1-3H3/b5-4+,8-6+
InChIKeyNSUZHNRHDKAVQO-DVBIZMGNSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
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 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine?
The IUPAC name of 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine (CID 102268095) is 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine is C/C=C/N=C/C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine?
The InChIKey is NSUZHNRHDKAVQO-DVBIZMGNSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-8-6-7(2)3/h4-7H,1-3H3/b5-4+,8-6+.
What are the key properties of 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine?
2-methyl-N-[(E)-prop-1-enyl]propan-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-prop-1-enyl]propan-1-imine is sourced from PubChem (CID 102268095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).