1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine

C12H19N3 — CID 105011503

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)C1CC2CC2C1
InChIInChI=1S/C12H19N3/c1-15-3-2-14-12(15)7-11(13)10-5-8-4-9(8)6-10/h2-3,8-11H,4-7,13H2,1H3
InChIKeyAKUJLBQLDJYAQU-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.34
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011503) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011503
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)C1CC2CC2C1
InChIInChI=1S/C12H19N3/c1-15-3-2-14-12(15)7-11(13)10-5-8-4-9(8)6-10/h2-3,8-11H,4-7,13H2,1H3
InChIKeyAKUJLBQLDJYAQU-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003165
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761477
[1-(2-adamantyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105323042
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 105011503) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is AKUJLBQLDJYAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-3-2-14-12(15)7-11(13)10-5-8-4-9(8)6-10/h2-3,8-11H,4-7,13H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).