4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine

C11H18N2 — CID 123252466

IUPAC4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
SMILESC=C(CC)/C(CC)=N/C=C\C=N\C
InChIInChI=1S/C11H18N2/c1-5-10(3)11(6-2)13-9-7-8-12-4/h7-9H,3,5-6H2,1-2,4H3/b9-7-,12-8+,13-11+
InChIKeyMMUSGKZZRBRIHV-JVOPIZRUSA-N
MW178.28 g/mol
LogP3.02
Rot. Bonds5

About 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine

4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine (PubChem CID 123252466) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine.

Molecular Properties

Compound Name4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
PubChem CID123252466
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
SMILESC=C(CC)/C(CC)=N/C=C\C=N\C
InChIInChI=1S/C11H18N2/c1-5-10(3)11(6-2)13-9-7-8-12-4/h7-9H,3,5-6H2,1-2,4H3/b9-7-,12-8+,13-11+
InChIKeyMMUSGKZZRBRIHV-JVOPIZRUSA-N
XLogP3.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide
CID 165130850
N-[(1Z)-buta-1,3-dienyl]butan-2-imine
CID 142112981
N'-ethylidene-N-methylprop-2-ene-1,3-diimine
CID 91250307
(Z)-N-(3-methyliminoprop-1-enyl)pent-2-en-2-amine
CID 174008947
N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide
CID 88554811
3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine
CID 172585384
N,3-dimethyl-5-methylidenehept-2-en-4-imine
CID 123734855
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
4-ethyl-3-methylideneoct-4-ene
CID 54376139
5-methylidene-4-propan-2-ylideneheptanal
CID 12585701

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine?
The IUPAC name of 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine (CID 123252466) is 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine.
What is the SMILES notation for 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine?
The canonical SMILES for 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine is C=C(CC)/C(CC)=N/C=C\C=N\C.
What is the InChIKey of 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine?
The InChIKey is MMUSGKZZRBRIHV-JVOPIZRUSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10(3)11(6-2)13-9-7-8-12-4/h7-9H,3,5-6H2,1-2,4H3/b9-7-,12-8+,13-11+.
What are the key properties of 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine?
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine has a molecular weight of 178.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine is sourced from PubChem (CID 123252466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).