1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C13H23N3 — CID 79760970

IUPAC1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1CCC1
InChIInChI=1S/C13H23N3/c1-3-8-16-9-7-15-13(16)10-12(14-2)11-5-4-6-11/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyCRMWHXLBFCIILV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.22
Rot. Bonds6

About 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79760970) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79760970
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1CCC1
InChIInChI=1S/C13H23N3/c1-3-8-16-9-7-15-13(16)10-12(14-2)11-5-4-6-11/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyCRMWHXLBFCIILV-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
1-(1,4-dithian-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79965965
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 79760970) is 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is CRMWHXLBFCIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-8-16-9-7-15-13(16)10-12(14-2)11-5-4-6-11/h7,9,11-12,14H,3-6,8,10H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79760970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).