(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine

C9H16N2 — CID 123422802

IUPAC(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(CCC)=N/C
InChIInChI=1S/C9H16N2/c1-4-6-9(11-3)8(5-2)7-10/h5,7,10H,4,6H2,1-3H3/b8-5-,10-7+,11-9+
InChIKeyPBTRXHNKDAVYMH-CKFINPENSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds4

About (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine

(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine (PubChem CID 123422802) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
PubChem CID123422802
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(CCC)=N/C
InChIInChI=1S/C9H16N2/c1-4-6-9(11-3)8(5-2)7-10/h5,7,10H,4,6H2,1-3H3/b8-5-,10-7+,11-9+
InChIKeyPBTRXHNKDAVYMH-CKFINPENSA-N
XLogP2.45
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
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

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
5-Butyl-6-methyl-2,3-dihydropyridine
CID 89109547
6,7-diethyl-4-methyl-4H-diazepine
CID 89204115
4-methyl-2H-pyridin-3-imine
CID 89382802
(Z)-N,3-dimethylhept-2-en-4-imine
CID 89441742
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(5Z)-5-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-2-methylcyclopent-2-en-1-imine
CID 89697525
(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine
CID 90128358
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine?
The IUPAC name of (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine (CID 123422802) is (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine.
What is the SMILES notation for (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine?
The canonical SMILES for (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine is [H]/N=C/C(=C/C)/C(CCC)=N/C.
What is the InChIKey of (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine?
The InChIKey is PBTRXHNKDAVYMH-CKFINPENSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-9(11-3)8(5-2)7-10/h5,7,10H,4,6H2,1-3H3/b8-5-,10-7+,11-9+.
What are the key properties of (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine?
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine is sourced from PubChem (CID 123422802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).