ethane;1-methylimidazole;N-methylmethanamine

C8H19N3 — CID 142299276

IUPACethane;1-methylimidazole;N-methylmethanamine
SMILESCC.CNC.Cn1ccnc1
InChIInChI=1S/C4H6N2.C2H7N.C2H6/c1-6-3-2-5-4-6;1-3-2;1-2/h2-4H,1H3;3H,1-2H3;1-2H3
InChIKeyRAPFNVLNEGDLKR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds

About ethane;1-methylimidazole;N-methylmethanamine

ethane;1-methylimidazole;N-methylmethanamine (PubChem CID 142299276) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;1-methylimidazole;N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-methylimidazole;N-methylmethanamine
PubChem CID142299276
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Nameethane;1-methylimidazole;N-methylmethanamine
SMILESCC.CNC.Cn1ccnc1
InChIInChI=1S/C4H6N2.C2H7N.C2H6/c1-6-3-2-5-4-6;1-3-2;1-2/h2-4H,1H3;3H,1-2H3;1-2H3
InChIKeyRAPFNVLNEGDLKR-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;N-methylmethanamine?
The IUPAC name of ethane;1-methylimidazole;N-methylmethanamine (CID 142299276) is ethane;1-methylimidazole;N-methylmethanamine.
What is the SMILES notation for ethane;1-methylimidazole;N-methylmethanamine?
The canonical SMILES for ethane;1-methylimidazole;N-methylmethanamine is CC.CNC.Cn1ccnc1.
What is the InChIKey of ethane;1-methylimidazole;N-methylmethanamine?
The InChIKey is RAPFNVLNEGDLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H7N.C2H6/c1-6-3-2-5-4-6;1-3-2;1-2/h2-4H,1H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;1-methylimidazole;N-methylmethanamine?
ethane;1-methylimidazole;N-methylmethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazole;N-methylmethanamine is sourced from PubChem (CID 142299276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).