1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine

C13H23N — CID 130433840

IUPAC1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine
SMILESCCC1CC1/C(C=C(C)C)=N/C(C)C
InChIInChI=1S/C13H23N/c1-6-11-8-12(11)13(7-9(2)3)14-10(4)5/h7,10-12H,6,8H2,1-5H3/b14-13+
InChIKeyNLCSWOFTUZGIRO-BUHFOSPRSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds4

About 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine

1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine (PubChem CID 130433840) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine
PubChem CID130433840
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine
SMILESCCC1CC1/C(C=C(C)C)=N/C(C)C
InChIInChI=1S/C13H23N/c1-6-11-8-12(11)13(7-9(2)3)14-10(4)5/h7,10-12H,6,8H2,1-5H3/b14-13+
InChIKeyNLCSWOFTUZGIRO-BUHFOSPRSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine?
The IUPAC name of 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine (CID 130433840) is 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine is CCC1CC1/C(C=C(C)C)=N/C(C)C.
What is the InChIKey of 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine?
The InChIKey is NLCSWOFTUZGIRO-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N/c1-6-11-8-12(11)13(7-9(2)3)14-10(4)5/h7,10-12H,6,8H2,1-5H3/b14-13+.
What are the key properties of 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine?
1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-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 1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 130433840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).