N-(6-methylcyclohex-2-en-1-yl)butan-2-imine

C11H19N — CID 142019920

IUPACN-(6-methylcyclohex-2-en-1-yl)butan-2-imine
SMILESCC/C(C)=N/C1C=CCCC1C
InChIInChI=1S/C11H19N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h6,8-9,11H,4-5,7H2,1-3H3/b12-10+
InChIKeyRCXFBWSJGHASOG-ZRDIBKRKSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About N-(6-methylcyclohex-2-en-1-yl)butan-2-imine

N-(6-methylcyclohex-2-en-1-yl)butan-2-imine (PubChem CID 142019920) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(6-methylcyclohex-2-en-1-yl)butan-2-imine.

Molecular Properties

Compound NameN-(6-methylcyclohex-2-en-1-yl)butan-2-imine
PubChem CID142019920
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(6-methylcyclohex-2-en-1-yl)butan-2-imine
SMILESCC/C(C)=N/C1C=CCCC1C
InChIInChI=1S/C11H19N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h6,8-9,11H,4-5,7H2,1-3H3/b12-10+
InChIKeyRCXFBWSJGHASOG-ZRDIBKRKSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
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 N-(6-methylcyclohex-2-en-1-yl)butan-2-imine?
The IUPAC name of N-(6-methylcyclohex-2-en-1-yl)butan-2-imine (CID 142019920) is N-(6-methylcyclohex-2-en-1-yl)butan-2-imine.
What is the SMILES notation for N-(6-methylcyclohex-2-en-1-yl)butan-2-imine?
The canonical SMILES for N-(6-methylcyclohex-2-en-1-yl)butan-2-imine is CC/C(C)=N/C1C=CCCC1C.
What is the InChIKey of N-(6-methylcyclohex-2-en-1-yl)butan-2-imine?
The InChIKey is RCXFBWSJGHASOG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h6,8-9,11H,4-5,7H2,1-3H3/b12-10+.
What are the key properties of N-(6-methylcyclohex-2-en-1-yl)butan-2-imine?
N-(6-methylcyclohex-2-en-1-yl)butan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylcyclohex-2-en-1-yl)butan-2-imine is sourced from PubChem (CID 142019920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).