2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine

C9H17N3 — CID 83864704

IUPAC2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine
SMILESCC1=NC2CCC(N)CC2N1C
InChIInChI=1S/C9H17N3/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h7-9H,3-5,10H2,1-2H3
InChIKeyFIANCLDRLFTTBW-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.60
Rot. Bonds

About 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine

2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine (PubChem CID 83864704) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine
PubChem CID83864704
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine
SMILESCC1=NC2CCC(N)CC2N1C
InChIInChI=1S/C9H17N3/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h7-9H,3-5,10H2,1-2H3
InChIKeyFIANCLDRLFTTBW-UHFFFAOYSA-N
XLogP0.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine?
The IUPAC name of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine (CID 83864704) is 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine.
What is the SMILES notation for 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine?
The canonical SMILES for 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine is CC1=NC2CCC(N)CC2N1C.
What is the InChIKey of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine?
The InChIKey is FIANCLDRLFTTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h7-9H,3-5,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine?
2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine is sourced from PubChem (CID 83864704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).