1-(2-hept-6-enylcyclopropyl)ethanimine

C12H21N — CID 160886692

IUPAC1-(2-hept-6-enylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1CC1CCCCCC=C
InChIInChI=1S/C12H21N/c1-3-4-5-6-7-8-11-9-12(11)10(2)13/h3,11-13H,1,4-9H2,2H3/b13-10+
InChIKeySNSQBBCVMAELSL-JLHYYAGUSA-N
MW179.31 g/mol
LogP3.80
Rot. Bonds7

About 1-(2-hept-6-enylcyclopropyl)ethanimine

1-(2-hept-6-enylcyclopropyl)ethanimine (PubChem CID 160886692) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(2-hept-6-enylcyclopropyl)ethanimine.

Molecular Properties

Compound Name1-(2-hept-6-enylcyclopropyl)ethanimine
PubChem CID160886692
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(2-hept-6-enylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1CC1CCCCCC=C
InChIInChI=1S/C12H21N/c1-3-4-5-6-7-8-11-9-12(11)10(2)13/h3,11-13H,1,4-9H2,2H3/b13-10+
InChIKeySNSQBBCVMAELSL-JLHYYAGUSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hept-6-enylcyclopropyl)ethanimine?
The IUPAC name of 1-(2-hept-6-enylcyclopropyl)ethanimine (CID 160886692) is 1-(2-hept-6-enylcyclopropyl)ethanimine.
What is the SMILES notation for 1-(2-hept-6-enylcyclopropyl)ethanimine?
The canonical SMILES for 1-(2-hept-6-enylcyclopropyl)ethanimine is [H]/N=C(\C)C1CC1CCCCCC=C.
What is the InChIKey of 1-(2-hept-6-enylcyclopropyl)ethanimine?
The InChIKey is SNSQBBCVMAELSL-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-5-6-7-8-11-9-12(11)10(2)13/h3,11-13H,1,4-9H2,2H3/b13-10+.
What are the key properties of 1-(2-hept-6-enylcyclopropyl)ethanimine?
1-(2-hept-6-enylcyclopropyl)ethanimine has a molecular weight of 179.31 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hept-6-enylcyclopropyl)ethanimine is sourced from PubChem (CID 160886692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).