(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine

C9H18N2 — CID 126657166

IUPAC(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine
SMILESCCC/C(=N\C=C/N)C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-9(8(2)3)11-7-6-10/h6-8H,4-5,10H2,1-3H3/b7-6-,11-9+
InChIKeyGKNKJWXQSKQTGM-SXWITGCCSA-N
MW154.26 g/mol
LogP2.31
Rot. Bonds4

About (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine

(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine (PubChem CID 126657166) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine
PubChem CID126657166
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine
SMILESCCC/C(=N\C=C/N)C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-9(8(2)3)11-7-6-10/h6-8H,4-5,10H2,1-3H3/b7-6-,11-9+
InChIKeyGKNKJWXQSKQTGM-SXWITGCCSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.31
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 (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine?
The IUPAC name of (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine (CID 126657166) is (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine.
What is the SMILES notation for (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine?
The canonical SMILES for (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine is CCC/C(=N\C=C/N)C(C)C.
What is the InChIKey of (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine?
The InChIKey is GKNKJWXQSKQTGM-SXWITGCCSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-9(8(2)3)11-7-6-10/h6-8H,4-5,10H2,1-3H3/b7-6-,11-9+.
What are the key properties of (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine?
(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine has a molecular weight of 154.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methylhexan-3-ylideneamino)ethenamine is sourced from PubChem (CID 126657166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).