(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine

C8H14N2 — CID 146552741

IUPAC(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine
SMILES[H]/N=C(C)/C(=C\C)C/C=N/C
InChIInChI=1S/C8H14N2/c1-4-8(7(2)9)5-6-10-3/h4,6,9H,5H2,1-3H3/b8-4-,9-7+,10-6+
InChIKeyXKMODVPMHWCQPT-IHUNFIOWSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine

(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine (PubChem CID 146552741) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine
PubChem CID146552741
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine
SMILES[H]/N=C(C)/C(=C\C)C/C=N/C
InChIInChI=1S/C8H14N2/c1-4-8(7(2)9)5-6-10-3/h4,6,9H,5H2,1-3H3/b8-4-,9-7+,10-6+
InChIKeyXKMODVPMHWCQPT-IHUNFIOWSA-N
XLogP2.06
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 ≤ 52.06
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 (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine?
The IUPAC name of (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine (CID 146552741) is (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine.
What is the SMILES notation for (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine?
The canonical SMILES for (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine is [H]/N=C(C)/C(=C\C)C/C=N/C.
What is the InChIKey of (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine?
The InChIKey is XKMODVPMHWCQPT-IHUNFIOWSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(7(2)9)5-6-10-3/h4,6,9H,5H2,1-3H3/b8-4-,9-7+,10-6+.
What are the key properties of (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine?
(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine is sourced from PubChem (CID 146552741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).