N'-(3-methylpent-1-enyl)ethane-1,2-diimine

C8H14N2 — CID 123513166

IUPACN'-(3-methylpent-1-enyl)ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=CC(C)CC
InChIInChI=1S/C8H14N2/c1-3-8(2)4-6-10-7-5-9/h4-9H,3H2,1-2H3/b6-4?,9-5+,10-7+
InChIKeyHQXKNAABVOUMGC-NDVHFPPXSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds4

About N'-(3-methylpent-1-enyl)ethane-1,2-diimine

N'-(3-methylpent-1-enyl)ethane-1,2-diimine (PubChem CID 123513166) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-(3-methylpent-1-enyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN'-(3-methylpent-1-enyl)ethane-1,2-diimine
PubChem CID123513166
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-(3-methylpent-1-enyl)ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=CC(C)CC
InChIInChI=1S/C8H14N2/c1-3-8(2)4-6-10-7-5-9/h4-9H,3H2,1-2H3/b6-4?,9-5+,10-7+
InChIKeyHQXKNAABVOUMGC-NDVHFPPXSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylpent-1-enyl)ethane-1,2-diimine?
The IUPAC name of N'-(3-methylpent-1-enyl)ethane-1,2-diimine (CID 123513166) is N'-(3-methylpent-1-enyl)ethane-1,2-diimine.
What is the SMILES notation for N'-(3-methylpent-1-enyl)ethane-1,2-diimine?
The canonical SMILES for N'-(3-methylpent-1-enyl)ethane-1,2-diimine is [H]/N=C/C=N/C=CC(C)CC.
What is the InChIKey of N'-(3-methylpent-1-enyl)ethane-1,2-diimine?
The InChIKey is HQXKNAABVOUMGC-NDVHFPPXSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(2)4-6-10-7-5-9/h4-9H,3H2,1-2H3/b6-4?,9-5+,10-7+.
What are the key properties of N'-(3-methylpent-1-enyl)ethane-1,2-diimine?
N'-(3-methylpent-1-enyl)ethane-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylpent-1-enyl)ethane-1,2-diimine is sourced from PubChem (CID 123513166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).