(8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine

C15H23N — CID 89207572

IUPAC(8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine
SMILES[H]/N=C/C1CCCC2CC=CC(C(C)C=C)C12
InChIInChI=1S/C15H23N/c1-3-11(2)14-9-5-7-12-6-4-8-13(10-16)15(12)14/h3,5,9-16H,1,4,6-8H2,2H3/b16-10+
InChIKeyURELQWODLQRYKE-MHWRWJLKSA-N
MW217.36 g/mol
LogP4.07
Rot. Bonds3

About (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine

(8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine (PubChem CID 89207572) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine.

Molecular Properties

Compound Name(8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine
PubChem CID89207572
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine
SMILES[H]/N=C/C1CCCC2CC=CC(C(C)C=C)C12
InChIInChI=1S/C15H23N/c1-3-11(2)14-9-5-7-12-6-4-8-13(10-16)15(12)14/h3,5,9-16H,1,4,6-8H2,2H3/b16-10+
InChIKeyURELQWODLQRYKE-MHWRWJLKSA-N
XLogP4.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine?
The IUPAC name of (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine (CID 89207572) is (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine.
What is the SMILES notation for (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine?
The canonical SMILES for (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine is [H]/N=C/C1CCCC2CC=CC(C(C)C=C)C12.
What is the InChIKey of (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine?
The InChIKey is URELQWODLQRYKE-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H23N/c1-3-11(2)14-9-5-7-12-6-4-8-13(10-16)15(12)14/h3,5,9-16H,1,4,6-8H2,2H3/b16-10+.
What are the key properties of (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine?
(8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine has a molecular weight of 217.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-but-3-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methanimine is sourced from PubChem (CID 89207572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).