(1-but-3-ynylcyclohexyl)methanimine

C11H17N — CID 123862050

IUPAC(1-but-3-ynylcyclohexyl)methanimine
SMILES[H]/N=C/C1(CCC#C)CCCCC1
InChIInChI=1S/C11H17N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h1,10,12H,3-9H2/b12-10+
InChIKeyZZHXDUPUGOKTOP-ZRDIBKRKSA-N
MW163.26 g/mol
LogP3.00
Rot. Bonds3

About (1-but-3-ynylcyclohexyl)methanimine

(1-but-3-ynylcyclohexyl)methanimine (PubChem CID 123862050) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1-but-3-ynylcyclohexyl)methanimine.

Molecular Properties

Compound Name(1-but-3-ynylcyclohexyl)methanimine
PubChem CID123862050
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1-but-3-ynylcyclohexyl)methanimine
SMILES[H]/N=C/C1(CCC#C)CCCCC1
InChIInChI=1S/C11H17N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h1,10,12H,3-9H2/b12-10+
InChIKeyZZHXDUPUGOKTOP-ZRDIBKRKSA-N
XLogP3.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-but-3-ynylcyclohexyl)methanimine?
The IUPAC name of (1-but-3-ynylcyclohexyl)methanimine (CID 123862050) is (1-but-3-ynylcyclohexyl)methanimine.
What is the SMILES notation for (1-but-3-ynylcyclohexyl)methanimine?
The canonical SMILES for (1-but-3-ynylcyclohexyl)methanimine is [H]/N=C/C1(CCC#C)CCCCC1.
What is the InChIKey of (1-but-3-ynylcyclohexyl)methanimine?
The InChIKey is ZZHXDUPUGOKTOP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h1,10,12H,3-9H2/b12-10+.
What are the key properties of (1-but-3-ynylcyclohexyl)methanimine?
(1-but-3-ynylcyclohexyl)methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-ynylcyclohexyl)methanimine is sourced from PubChem (CID 123862050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).