bis(1-methylimidazol-2-yl)methanamine

C9H13N5 — CID 79006287

IUPACbis(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)c1nccn1C
InChIInChI=1S/C9H13N5/c1-13-5-3-11-8(13)7(10)9-12-4-6-14(9)2/h3-7H,10H2,1-2H3
InChIKeyCSHAWDNWYAETDR-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.20
Rot. Bonds2

About bis(1-methylimidazol-2-yl)methanamine

bis(1-methylimidazol-2-yl)methanamine (PubChem CID 79006287) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is bis(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Namebis(1-methylimidazol-2-yl)methanamine
PubChem CID79006287
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Namebis(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)c1nccn1C
InChIInChI=1S/C9H13N5/c1-13-5-3-11-8(13)7(10)9-12-4-6-14(9)2/h3-7H,10H2,1-2H3
InChIKeyCSHAWDNWYAETDR-UHFFFAOYSA-N
XLogP0.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylimidazol-2-yl)methanamine?
The IUPAC name of bis(1-methylimidazol-2-yl)methanamine (CID 79006287) is bis(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for bis(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for bis(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(N)c1nccn1C.
What is the InChIKey of bis(1-methylimidazol-2-yl)methanamine?
The InChIKey is CSHAWDNWYAETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-13-5-3-11-8(13)7(10)9-12-4-6-14(9)2/h3-7H,10H2,1-2H3.
What are the key properties of bis(1-methylimidazol-2-yl)methanamine?
bis(1-methylimidazol-2-yl)methanamine has a molecular weight of 191.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 79006287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).