(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine

C11H20ClN — CID 11030873

IUPAC(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine
SMILESC/C=C(/C=N/C(C)(C)C)CCCCl
InChIInChI=1S/C11H20ClN/c1-5-10(7-6-8-12)9-13-11(2,3)4/h5,9H,6-8H2,1-4H3/b10-5+,13-9+
InChIKeyVEUMXAAVCGWNIS-UIJSIPAGSA-N
MW201.74 g/mol
LogP3.82
Rot. Bonds4

About (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine

(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine (PubChem CID 11030873) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine
PubChem CID11030873
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine
SMILESC/C=C(/C=N/C(C)(C)C)CCCCl
InChIInChI=1S/C11H20ClN/c1-5-10(7-6-8-12)9-13-11(2,3)4/h5,9H,6-8H2,1-4H3/b10-5+,13-9+
InChIKeyVEUMXAAVCGWNIS-UIJSIPAGSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-5-chloro-2-ethylidene-N-propan-2-ylpentan-1-imine
CID 21627254
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978
(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine
CID 129171164
(Z)-4-chloro-2-methyl-N-propan-2-ylpent-2-en-1-imine
CID 130183486
2-Tert-butyl-3-chloro-5-propan-2-yl-2,3-dihydropyridine
CID 139296820
(Z)-2-(5-chloro-3-methylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine
CID 139398959
(2E)-5-chloro-N,2-dimethylhepta-2,6-dien-1-imine
CID 139435606
(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine
CID 142087730
3-Chloro-2,5-dimethyl-2,3-dihydropyridine
CID 143864822
5-(6-chlorohex-1-ynyl)-2,2-dimethyl-3H-pyridine
CID 146589257
(Z)-2-(chloromethyl)-N-methyloct-2-en-1-imine
CID 170210064
2-Chloro-6-methyl-3-methylidene-2,4-dihydroazepine
CID 174204765

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine?
The IUPAC name of (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine (CID 11030873) is (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine.
What is the SMILES notation for (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine?
The canonical SMILES for (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine is C/C=C(/C=N/C(C)(C)C)CCCCl.
What is the InChIKey of (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine?
The InChIKey is VEUMXAAVCGWNIS-UIJSIPAGSA-N. The full InChI is InChI=1S/C11H20ClN/c1-5-10(7-6-8-12)9-13-11(2,3)4/h5,9H,6-8H2,1-4H3/b10-5+,13-9+.
What are the key properties of (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine?
(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine has a molecular weight of 201.74 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine is sourced from PubChem (CID 11030873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).