N-ethyl-3-methylhepta-3,6-dien-2-imine

C10H17N — CID 90905569

IUPACN-ethyl-3-methylhepta-3,6-dien-2-imine
SMILESC=CCC=C(C)/C(C)=N/CC
InChIInChI=1S/C10H17N/c1-5-7-8-9(3)10(4)11-6-2/h5,8H,1,6-7H2,2-4H3/b9-8?,11-10+
InChIKeyXXNJWVVIYGHMAM-VVKPDYKWSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds4

About N-ethyl-3-methylhepta-3,6-dien-2-imine

N-ethyl-3-methylhepta-3,6-dien-2-imine (PubChem CID 90905569) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-ethyl-3-methylhepta-3,6-dien-2-imine.

Molecular Properties

Compound NameN-ethyl-3-methylhepta-3,6-dien-2-imine
PubChem CID90905569
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-ethyl-3-methylhepta-3,6-dien-2-imine
SMILESC=CCC=C(C)/C(C)=N/CC
InChIInChI=1S/C10H17N/c1-5-7-8-9(3)10(4)11-6-2/h5,8H,1,6-7H2,2-4H3/b9-8?,11-10+
InChIKeyXXNJWVVIYGHMAM-VVKPDYKWSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-2,3-dihydropyridine
CID 58693567
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
CID 166976514
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
2-fluoro-N,5-dimethylhex-4-en-3-imine
CID 172586095
(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine
CID 178135533
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylhepta-3,6-dien-2-imine?
The IUPAC name of N-ethyl-3-methylhepta-3,6-dien-2-imine (CID 90905569) is N-ethyl-3-methylhepta-3,6-dien-2-imine.
What is the SMILES notation for N-ethyl-3-methylhepta-3,6-dien-2-imine?
The canonical SMILES for N-ethyl-3-methylhepta-3,6-dien-2-imine is C=CCC=C(C)/C(C)=N/CC.
What is the InChIKey of N-ethyl-3-methylhepta-3,6-dien-2-imine?
The InChIKey is XXNJWVVIYGHMAM-VVKPDYKWSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-8-9(3)10(4)11-6-2/h5,8H,1,6-7H2,2-4H3/b9-8?,11-10+.
What are the key properties of N-ethyl-3-methylhepta-3,6-dien-2-imine?
N-ethyl-3-methylhepta-3,6-dien-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylhepta-3,6-dien-2-imine is sourced from PubChem (CID 90905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).