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

C8H14N2 — CID 118687350

IUPACN-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine
SMILES[H]/N=C/C=C\N=C(/C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3)10-6-4-5-9/h4-7,9H,1-3H3/b6-4-,9-5+,10-8+
InChIKeyGJBSLODEYWSYAD-HYTMGCHQSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds3

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

N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine (PubChem CID 118687350) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine
PubChem CID118687350
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine
SMILES[H]/N=C/C=C\N=C(/C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3)10-6-4-5-9/h4-7,9H,1-3H3/b6-4-,9-5+,10-8+
InChIKeyGJBSLODEYWSYAD-HYTMGCHQSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
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

2-propan-2-yl-5H-1,4-diazepine
CID 68166043
2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 88539325
2-methyl-N-[(Z)-prop-1-enyl]butan-1-imine
CID 89195552
3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine
CID 89213557
N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine
CID 89423962
3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 89688931
N-[(Z)-3-iminoprop-1-enyl]pentan-2-imine
CID 89698301
1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 117783561
(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine
CID 118687324
5-N-prop-2-enylidenepent-4-ene-2,5-diimine
CID 123205122
(Z)-N'-propan-2-ylideneprop-2-ene-1,3-diimine
CID 123300854
(Z)-N'-propylideneprop-2-ene-1,3-diimine
CID 123520631

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine?
The IUPAC name of N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine (CID 118687350) is N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine is [H]/N=C/C=C\N=C(/C)C(C)C.
What is the InChIKey of N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine?
The InChIKey is GJBSLODEYWSYAD-HYTMGCHQSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(3)10-6-4-5-9/h4-7,9H,1-3H3/b6-4-,9-5+,10-8+.
What are the key properties of N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine?
N-[(Z)-3-iminoprop-1-enyl]-3-methylbutan-2-imine has a molecular weight of 138.21 g/mol, XLogP of 2.27, 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]-3-methylbutan-2-imine is sourced from PubChem (CID 118687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).