N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine

C7H12N2 — CID 89423962

IUPACN-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine
SMILES[H]/N=C/C=C\N=C\C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8/h3-8H,1-2H3/b5-3-,8-4+,9-6+
InChIKeyVDNCMDFERDFEOQ-TYKJNVJLSA-N
MW124.19 g/mol
LogP1.88
Rot. Bonds3

About N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine

N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine (PubChem CID 89423962) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine
PubChem CID89423962
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine
SMILES[H]/N=C/C=C\N=C\C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8/h3-8H,1-2H3/b5-3-,8-4+,9-6+
InChIKeyVDNCMDFERDFEOQ-TYKJNVJLSA-N
XLogP1.88
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
3-Methyliminoprop-1-en-1-amine
CID 72522918
(Z)-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 88236263
(Z)-2-(2-methylprop-2-enylideneamino)ethenamine
CID 88251982
2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 88539325
(Z)-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 88539326
(Z)-3-ethenylimino-2-methylprop-1-en-1-amine
CID 88568702
(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
CID 88875316

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine?
The IUPAC name of N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine (CID 89423962) is N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine?
The canonical SMILES for N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine is [H]/N=C/C=C\N=C\C(C)C.
What is the InChIKey of N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine?
The InChIKey is VDNCMDFERDFEOQ-TYKJNVJLSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8/h3-8H,1-2H3/b5-3-,8-4+,9-6+.
What are the key properties of N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine?
N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine is sourced from PubChem (CID 89423962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).