ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine

C9H19N3 — CID 143252273

IUPACethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCC.CNC(C)c1cncn1C
InChIInChI=1S/C7H13N3.C2H6/c1-6(8-2)7-4-9-5-10(7)3;1-2/h4-6,8H,1-3H3;1-2H3
InChIKeyVVCGRIPVVXXKTR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds2

About ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine

ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 143252273) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID143252273
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCC.CNC(C)c1cncn1C
InChIInChI=1S/C7H13N3.C2H6/c1-6(8-2)7-4-9-5-10(7)3;1-2/h4-6,8H,1-3H3;1-2H3
InChIKeyVVCGRIPVVXXKTR-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine (CID 143252273) is ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine is CC.CNC(C)c1cncn1C.
What is the InChIKey of ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is VVCGRIPVVXXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-6(8-2)7-4-9-5-10(7)3;1-2/h4-6,8H,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 143252273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).