N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine

C11H18N2 — CID 123604432

IUPACN-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine
SMILESCC=C/C(=N\C)C1CC2C(C)C2N1
InChIInChI=1S/C11H18N2/c1-4-5-9(12-3)10-6-8-7(2)11(8)13-10/h4-5,7-8,10-11,13H,6H2,1-3H3/b5-4?,12-9+
InChIKeyLUJYEDWUNOXAJK-XIZFYRDISA-N
MW178.28 g/mol
LogP1.63
Rot. Bonds2

About N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine

N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine (PubChem CID 123604432) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine
PubChem CID123604432
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine
SMILESCC=C/C(=N\C)C1CC2C(C)C2N1
InChIInChI=1S/C11H18N2/c1-4-5-9(12-3)10-6-8-7(2)11(8)13-10/h4-5,7-8,10-11,13H,6H2,1-3H3/b5-4?,12-9+
InChIKeyLUJYEDWUNOXAJK-XIZFYRDISA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentyl-6-piperidin-3-yl-2,3-dihydropyridine
CID 66612629
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
1-(2,3-Dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane
CID 89217031
2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123325971
2,6-Dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135116
(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
CID 144499452
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen
CID 144549901
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane
CID 144787952
ethane;(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
CID 145104492
ethane;(Z)-N-methyl-2-piperidin-2-ylhex-4-en-3-imine
CID 145621981
5-cyclopropyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 160735393
11-(Cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene
CID 163454198

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine?
The IUPAC name of N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine (CID 123604432) is N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine.
What is the SMILES notation for N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine?
The canonical SMILES for N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine is CC=C/C(=N\C)C1CC2C(C)C2N1.
What is the InChIKey of N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine?
The InChIKey is LUJYEDWUNOXAJK-XIZFYRDISA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-9(12-3)10-6-8-7(2)11(8)13-10/h4-5,7-8,10-11,13H,6H2,1-3H3/b5-4?,12-9+.
What are the key properties of N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine?
N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-2-azabicyclo[3.1.0]hexan-3-yl)but-2-en-1-imine is sourced from PubChem (CID 123604432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).