4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine

C11H15N3 — CID 167243752

IUPAC4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(Cn2ccnc2)CC1
InChIInChI=1S/C11H15N3/c1-12-11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2,4,6-7,9,12H,3,5,8H2,1H3
InChIKeyBGYHSRAKWYLJAF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.71
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine

4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 167243752) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID167243752
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(Cn2ccnc2)CC1
InChIInChI=1S/C11H15N3/c1-12-11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2,4,6-7,9,12H,3,5,8H2,1H3
InChIKeyBGYHSRAKWYLJAF-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine (CID 167243752) is 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine is CNC1=CC=C(Cn2ccnc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is BGYHSRAKWYLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-12-11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2,4,6-7,9,12H,3,5,8H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine?
4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 167243752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).