N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine

C13H23N — CID 123822144

IUPACN-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine
SMILESCC/N=C(/CC1CC1C)C(C)=C(C)C
InChIInChI=1S/C13H23N/c1-6-14-13(11(5)9(2)3)8-12-7-10(12)4/h10,12H,6-8H2,1-5H3/b14-13-
InChIKeyNZUCWEABYSSAJI-YPKPFQOOSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds4

About N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine

N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine (PubChem CID 123822144) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine
PubChem CID123822144
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine
SMILESCC/N=C(/CC1CC1C)C(C)=C(C)C
InChIInChI=1S/C13H23N/c1-6-14-13(11(5)9(2)3)8-12-7-10(12)4/h10,12H,6-8H2,1-5H3/b14-13-
InChIKeyNZUCWEABYSSAJI-YPKPFQOOSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3,4-di(propan-2-yl)cyclohex-3-en-1-imine
CID 20631047
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
(Z)-3,7-diethyl-N,2,6-trimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123350713
N,3,7-trimethylcyclohept-2-en-1-imine
CID 123422604
(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine
CID 123488300
(Z)-3-ethyl-N,5-dimethyloct-2-en-4-imine
CID 123539646
N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine
CID 123713869
(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123714871
N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine
CID 123820965
4-Methyl-1-propan-2-yl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
CID 124184639
5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
CID 129025353

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine?
The IUPAC name of N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine (CID 123822144) is N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine.
What is the SMILES notation for N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine?
The canonical SMILES for N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine is CC/N=C(/CC1CC1C)C(C)=C(C)C.
What is the InChIKey of N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine?
The InChIKey is NZUCWEABYSSAJI-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N/c1-6-14-13(11(5)9(2)3)8-12-7-10(12)4/h10,12H,6-8H2,1-5H3/b14-13-.
What are the key properties of N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine?
N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-1-(2-methylcyclopropyl)pent-3-en-2-imine is sourced from PubChem (CID 123822144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).