2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine

C9H17N3 — CID 62442957

IUPAC2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
SMILESCCc1nccn1C(C)CNC
InChIInChI=1S/C9H17N3/c1-4-9-11-5-6-12(9)8(2)7-10-3/h5-6,8,10H,4,7H2,1-3H3
InChIKeyWLJRWMKCPUDDFD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.23
Rot. Bonds4

About 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine

2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine (PubChem CID 62442957) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
PubChem CID62442957
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
SMILESCCc1nccn1C(C)CNC
InChIInChI=1S/C9H17N3/c1-4-9-11-5-6-12(9)8(2)7-10-3/h5-6,8,10H,4,7H2,1-3H3
InChIKeyWLJRWMKCPUDDFD-UHFFFAOYSA-N
XLogP1.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566090
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
CID 62443341
4-(2-ethylimidazol-1-yl)pentan-1-amine
CID 62442760
2-ethyl-1-heptan-4-ylimidazole
CID 91216339
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64727550
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64810100
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
CID 79409202
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
CID 64727747

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine (CID 62442957) is 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine is CCc1nccn1C(C)CNC.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine?
The InChIKey is WLJRWMKCPUDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9-11-5-6-12(9)8(2)7-10-3/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine?
2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62442957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).