1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C12H21N3 — CID 114530243

IUPAC1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)C1CCC1
InChIInChI=1S/C12H21N3/c1-13-11(10-4-3-5-10)6-7-12-14-8-9-15(12)2/h8-11,13H,3-7H2,1-2H3
InChIKeyLVHPPANJZJCAIC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds5

About 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114530243) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114530243
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)C1CCC1
InChIInChI=1S/C12H21N3/c1-13-11(10-4-3-5-10)6-7-12-14-8-9-15(12)2/h8-11,13H,3-7H2,1-2H3
InChIKeyLVHPPANJZJCAIC-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531599
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220
[1-cyclohexyl-1-ethoxy-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105278913
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114530243) is 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCc1nccn1C)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is LVHPPANJZJCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-13-11(10-4-3-5-10)6-7-12-14-8-9-15(12)2/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114530243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).