N,N-dimethylcyclohepta[d]imidazol-2-amine

C10H11N3 — CID 16545

IUPACN,N-dimethylcyclohepta[d]imidazol-2-amine
SMILESCN(C)c1nc2cccccc-2n1
InChIInChI=1S/C10H11N3/c1-13(2)10-11-8-6-4-3-5-7-9(8)12-10/h3-7H,1-2H3
InChIKeyMUSSAIHTXTYOSV-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.65
Rot. Bonds1

About N,N-dimethylcyclohepta[d]imidazol-2-amine

N,N-dimethylcyclohepta[d]imidazol-2-amine (PubChem CID 16545) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N,N-dimethylcyclohepta[d]imidazol-2-amine.

Molecular Properties

Compound NameN,N-dimethylcyclohepta[d]imidazol-2-amine
PubChem CID16545
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN,N-dimethylcyclohepta[d]imidazol-2-amine
SMILESCN(C)c1nc2cccccc-2n1
InChIInChI=1S/C10H11N3/c1-13(2)10-11-8-6-4-3-5-7-9(8)12-10/h3-7H,1-2H3
InChIKeyMUSSAIHTXTYOSV-UHFFFAOYSA-N
XLogP1.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-methylbenzimidazole
CID 74187
1,3-Diazaazulene
CID 638009
2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole
CID 373088
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
9,13-Dimethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1,3,5,7,9,11-hexaene-4,12-diamine
CID 23426787
N,N,1-trimethyl-1H-benzo[d]imidazol-2-amine
CID 640784
2,5-dimethyl-3H-[1,3]diazepino[1,2-a]benzimidazole
CID 387895
1,3-Dimethylcyclohepta[d]imidazole-1,3-diium-trifluoromethanesulfonate
CID 168352096
2-Phenyl-1,3-diazaazulene
CID 12242164
1-methyl-2H-benzimidazol-2-ylium
CID 140612777
2-Chloro-1,3-dimethylbenzimidazol-3-ium
CID 11241402
1,3-Dimethylbenzimidazol-3-ium-2-amine
CID 12425570

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohepta[d]imidazol-2-amine?
The IUPAC name of N,N-dimethylcyclohepta[d]imidazol-2-amine (CID 16545) is N,N-dimethylcyclohepta[d]imidazol-2-amine.
What is the SMILES notation for N,N-dimethylcyclohepta[d]imidazol-2-amine?
The canonical SMILES for N,N-dimethylcyclohepta[d]imidazol-2-amine is CN(C)c1nc2cccccc-2n1.
What is the InChIKey of N,N-dimethylcyclohepta[d]imidazol-2-amine?
The InChIKey is MUSSAIHTXTYOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13(2)10-11-8-6-4-3-5-7-9(8)12-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethylcyclohepta[d]imidazol-2-amine?
N,N-dimethylcyclohepta[d]imidazol-2-amine has a molecular weight of 173.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohepta[d]imidazol-2-amine is sourced from PubChem (CID 16545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).