N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine

C11H17N — CID 174317092

IUPACN-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine
SMILESC=C/C(=N\C)C1CC=C[C@@H](C)C1
InChIInChI=1S/C11H17N/c1-4-11(12-3)10-7-5-6-9(2)8-10/h4-6,9-10H,1,7-8H2,2-3H3/b12-11+/t9-,10?/m1/s1
InChIKeyCONMAJJJRNUJGB-VJVGDIBPSA-N
MW163.26 g/mol
LogP2.85
Rot. Bonds2

About N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine

N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine (PubChem CID 174317092) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine
PubChem CID174317092
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine
SMILESC=C/C(=N\C)C1CC=C[C@@H](C)C1
InChIInChI=1S/C11H17N/c1-4-11(12-3)10-7-5-6-9(2)8-10/h4-6,9-10H,1,7-8H2,2-3H3/b12-11+/t9-,10?/m1/s1
InChIKeyCONMAJJJRNUJGB-VJVGDIBPSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.85
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-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine?
The IUPAC name of N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine (CID 174317092) is N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine.
What is the SMILES notation for N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine?
The canonical SMILES for N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine is C=C/C(=N\C)C1CC=C[C@@H](C)C1.
What is the InChIKey of N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine?
The InChIKey is CONMAJJJRNUJGB-VJVGDIBPSA-N. The full InChI is InChI=1S/C11H17N/c1-4-11(12-3)10-7-5-6-9(2)8-10/h4-6,9-10H,1,7-8H2,2-3H3/b12-11+/t9-,10?/m1/s1.
What are the key properties of N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine?
N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine has a molecular weight of 163.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5S)-5-methylcyclohex-3-en-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 174317092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).