N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine

C12H19N3 — CID 66140268

IUPACN-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1c1cncn1C1CC1
InChIInChI=1S/C12H19N3/c1-2-13-6-9-5-11(9)12-7-14-8-15(12)10-3-4-10/h7-11,13H,2-6H2,1H3
InChIKeyDKOWSDAXWUESKE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.93
Rot. Bonds5

About N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine

N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine (PubChem CID 66140268) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine
PubChem CID66140268
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1c1cncn1C1CC1
InChIInChI=1S/C12H19N3/c1-2-13-6-9-5-11(9)12-7-14-8-15(12)10-3-4-10/h7-11,13H,2-6H2,1H3
InChIKeyDKOWSDAXWUESKE-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-(2-ethyl-5-methylpyrrolidin-3-yl)imidazole
CID 66164724
2-methyl-N-[[2-(3-propylimidazol-4-yl)cyclopropyl]methyl]propan-1-amine
CID 66132443
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 66131370
1-cyclopropyl-5-[2-(2-methylpropyl)pyrrolidin-3-yl]imidazole
CID 66142285
2-methyl-N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 66116512
N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
CID 83094583
[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 66162340
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66130769
2-methyl-N-[[2-(3-propan-2-ylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 66161855
4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
CID 114704999

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine (CID 66140268) is N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine is CCNCC1CC1c1cncn1C1CC1.
What is the InChIKey of N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine?
The InChIKey is DKOWSDAXWUESKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-13-6-9-5-11(9)12-7-14-8-15(12)10-3-4-10/h7-11,13H,2-6H2,1H3.
What are the key properties of N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine?
N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 66140268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).