N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine

C12H19N3 — CID 79340116

IUPACN-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCCn1cncc1C=C(C)CNC1CC1
InChIInChI=1S/C12H19N3/c1-3-15-9-13-8-12(15)6-10(2)7-14-11-4-5-11/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyILEYFEFCVGFPCG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds5

About N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine

N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine (PubChem CID 79340116) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine
PubChem CID79340116
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCCn1cncc1C=C(C)CNC1CC1
InChIInChI=1S/C12H19N3/c1-3-15-9-13-8-12(15)6-10(2)7-14-11-4-5-11/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyILEYFEFCVGFPCG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylimidazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338790
N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine
CID 79329224
5-[2-(chloromethyl)-3-methylbut-1-enyl]-1-ethylimidazole
CID 79334362
N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine
CID 79340938
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
CID 104772212
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
CID 79340845
5-[(E)-but-2-en-2-yl]-1-ethylimidazole
CID 144852857
N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150756
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134135

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine (CID 79340116) is N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine is CCn1cncc1C=C(C)CNC1CC1.
What is the InChIKey of N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine?
The InChIKey is ILEYFEFCVGFPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-15-9-13-8-12(15)6-10(2)7-14-11-4-5-11/h6,8-9,11,14H,3-5,7H2,1-2H3.
What are the key properties of N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine?
N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).