N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine

C9H15N — CID 143591444

IUPACN-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)7-8(3)10-4/h5,7H,4,6H2,1-3H3/b8-7-,9-5-
InChIKeyAOMNLSJOBDVHEE-MFXUOLQWSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine (PubChem CID 143591444) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
PubChem CID143591444
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)7-8(3)10-4/h5,7H,4,6H2,1-3H3/b8-7-,9-5-
InChIKeyAOMNLSJOBDVHEE-MFXUOLQWSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
CID 144630019
(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
CID 166909191
(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
CID 142112533
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
CID 143311273
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
CID 166874510
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienamide
CID 145265634
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea
CID 143344506

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine (CID 143591444) is N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C/C)CC.
What is the InChIKey of N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is AOMNLSJOBDVHEE-MFXUOLQWSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(6-2)7-8(3)10-4/h5,7H,4,6H2,1-3H3/b8-7-,9-5-.
What are the key properties of N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 143591444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).