1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine

C10H19N3 — CID 10856106

IUPAC1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine
SMILESCCCCc1nccn1CN(C)C
InChIInChI=1S/C10H19N3/c1-4-5-6-10-11-7-8-13(10)9-12(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyXOCJUPFZWQQHSF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.74
Rot. Bonds5

About 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine

1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine (PubChem CID 10856106) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine
PubChem CID10856106
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine
SMILESCCCCc1nccn1CN(C)C
InChIInChI=1S/C10H19N3/c1-4-5-6-10-11-7-8-13(10)9-12(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyXOCJUPFZWQQHSF-UHFFFAOYSA-N
XLogP1.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine (CID 10856106) is 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine is CCCCc1nccn1CN(C)C.
What is the InChIKey of 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine?
The InChIKey is XOCJUPFZWQQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-6-10-11-7-8-13(10)9-12(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine?
1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylimidazol-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 10856106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).