N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine

C13H23N3 — CID 81015529

IUPACN-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1nccn1C
InChIInChI=1S/C13H23N3/c1-10(8-13-14-6-7-16(13)3)11(2)9-15-12-4-5-12/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyCJEIWXPTVVGMMW-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.99
Rot. Bonds6

About N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine

N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine (PubChem CID 81015529) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine
PubChem CID81015529
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1nccn1C
InChIInChI=1S/C13H23N3/c1-10(8-13-14-6-7-16(13)3)11(2)9-15-12-4-5-12/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyCJEIWXPTVVGMMW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79761950
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine (CID 81015529) is N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine is CC(CNC1CC1)C(C)Cc1nccn1C.
What is the InChIKey of N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine?
The InChIKey is CJEIWXPTVVGMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(8-13-14-6-7-16(13)3)11(2)9-15-12-4-5-12/h6-7,10-12,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine?
N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine has a molecular weight of 221.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine is sourced from PubChem (CID 81015529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).