1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

C12H20N4 — CID 107064608

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1CC2CC2C1
InChIInChI=1S/C12H20N4/c1-13-12(6-11-7-16(2)15-14-11)10-4-8-3-9(8)5-10/h7-10,12-13H,3-6H2,1-2H3
InChIKeyPXOQPBLSIQBERS-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.99
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064608) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064608
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1CC2CC2C1
InChIInChI=1S/C12H20N4/c1-13-12(6-11-7-16(2)15-14-11)10-4-8-3-9(8)5-10/h7-10,12-13H,3-6H2,1-2H3
InChIKeyPXOQPBLSIQBERS-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064594
[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066631
1-cyclopropyl-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107044720
1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050737
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
[1-(4-tert-butylcyclohexyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066160
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115802996

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107064608) is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is PXOQPBLSIQBERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-13-12(6-11-7-16(2)15-14-11)10-4-8-3-9(8)5-10/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107064608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).