1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine

C12H19N — CID 123948342

IUPAC1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine
SMILES[H]/N=C(\C)CC1CC1C(C)=C=CCC
InChIInChI=1S/C12H19N/c1-4-5-6-9(2)12-8-11(12)7-10(3)13/h5,11-13H,4,7-8H2,1-3H3/b13-10+
InChIKeyPVNJBQXSJLXABN-JLHYYAGUSA-N
MW177.29 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine

1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine (PubChem CID 123948342) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine.

Molecular Properties

Compound Name1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine
PubChem CID123948342
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine
SMILES[H]/N=C(\C)CC1CC1C(C)=C=CCC
InChIInChI=1S/C12H19N/c1-4-5-6-9(2)12-8-11(12)7-10(3)13/h5,11-13H,4,7-8H2,1-3H3/b13-10+
InChIKeyPVNJBQXSJLXABN-JLHYYAGUSA-N
XLogP3.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
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-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine?
The IUPAC name of 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine (CID 123948342) is 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine.
What is the SMILES notation for 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine?
The canonical SMILES for 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine is [H]/N=C(\C)CC1CC1C(C)=C=CCC.
What is the InChIKey of 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine?
The InChIKey is PVNJBQXSJLXABN-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19N/c1-4-5-6-9(2)12-8-11(12)7-10(3)13/h5,11-13H,4,7-8H2,1-3H3/b13-10+.
What are the key properties of 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine?
1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine has a molecular weight of 177.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexa-2,3-dien-2-ylcyclopropyl)propan-2-imine is sourced from PubChem (CID 123948342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).