N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine

C14H19N3S — CID 66152012

IUPACN-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCC(Cc1cccs1)n1cncc1CNC1CC1
InChIInChI=1S/C14H19N3S/c1-11(7-14-3-2-6-18-14)17-10-15-8-13(17)9-16-12-4-5-12/h2-3,6,8,10-12,16H,4-5,7,9H2,1H3
InChIKeyAILWFWSHZAQCIE-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.00
Rot. Bonds6

About N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine

N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66152012) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66152012
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCC(Cc1cccs1)n1cncc1CNC1CC1
InChIInChI=1S/C14H19N3S/c1-11(7-14-3-2-6-18-14)17-10-15-8-13(17)9-16-12-4-5-12/h2-3,6,8,10-12,16H,4-5,7,9H2,1H3
InChIKeyAILWFWSHZAQCIE-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
CID 114720628
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 107444220
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 105074166
4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66161861
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 107380520
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139
N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63292313
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine (CID 66152012) is N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine is CC(Cc1cccs1)n1cncc1CNC1CC1.
What is the InChIKey of N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is AILWFWSHZAQCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11(7-14-3-2-6-18-14)17-10-15-8-13(17)9-16-12-4-5-12/h2-3,6,8,10-12,16H,4-5,7,9H2,1H3.
What are the key properties of N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66152012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).