(Z)-5-ethyl-3-methyloct-3-en-2-imine

C11H21N — CID 91076242

IUPAC(Z)-5-ethyl-3-methyloct-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(CC)CCC
InChIInChI=1S/C11H21N/c1-5-7-11(6-2)8-9(3)10(4)12/h8,11-12H,5-7H2,1-4H3/b9-8-,12-10+
InChIKeyOKLSJWVINHEMTC-LVQHWDRTSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds5

About (Z)-5-ethyl-3-methyloct-3-en-2-imine

(Z)-5-ethyl-3-methyloct-3-en-2-imine (PubChem CID 91076242) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-5-ethyl-3-methyloct-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-ethyl-3-methyloct-3-en-2-imine
PubChem CID91076242
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-5-ethyl-3-methyloct-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(CC)CCC
InChIInChI=1S/C11H21N/c1-5-7-11(6-2)8-9(3)10(4)12/h8,11-12H,5-7H2,1-4H3/b9-8-,12-10+
InChIKeyOKLSJWVINHEMTC-LVQHWDRTSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
1-Cyclohexyl-imino-2-butene
CID 129765474
Carvone hydrazone
CID 129821701
3,7-Diisopropyl-5-methyl-1,2(4H)-diazepine
CID 557376
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethyl-3-methyloct-3-en-2-imine?
The IUPAC name of (Z)-5-ethyl-3-methyloct-3-en-2-imine (CID 91076242) is (Z)-5-ethyl-3-methyloct-3-en-2-imine.
What is the SMILES notation for (Z)-5-ethyl-3-methyloct-3-en-2-imine?
The canonical SMILES for (Z)-5-ethyl-3-methyloct-3-en-2-imine is [H]/N=C(C)/C(C)=C\C(CC)CCC.
What is the InChIKey of (Z)-5-ethyl-3-methyloct-3-en-2-imine?
The InChIKey is OKLSJWVINHEMTC-LVQHWDRTSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-11(6-2)8-9(3)10(4)12/h8,11-12H,5-7H2,1-4H3/b9-8-,12-10+.
What are the key properties of (Z)-5-ethyl-3-methyloct-3-en-2-imine?
(Z)-5-ethyl-3-methyloct-3-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-3-methyloct-3-en-2-imine is sourced from PubChem (CID 91076242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).