1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine

C10H17N3 — CID 83875274

IUPAC1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine
SMILESCn1cnc2c1CC(C)(C)CC2N
InChIInChI=1S/C10H17N3/c1-10(2)4-7(11)9-8(5-10)13(3)6-12-9/h6-7H,4-5,11H2,1-3H3
InChIKeyHLHGLLXJRALAQU-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.39
Rot. Bonds

About 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine

1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine (PubChem CID 83875274) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine.

Molecular Properties

Compound Name1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine
PubChem CID83875274
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine
SMILESCn1cnc2c1CC(C)(C)CC2N
InChIInChI=1S/C10H17N3/c1-10(2)4-7(11)9-8(5-10)13(3)6-12-9/h6-7H,4-5,11H2,1-3H3
InChIKeyHLHGLLXJRALAQU-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine?
The IUPAC name of 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine (CID 83875274) is 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine.
What is the SMILES notation for 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine?
The canonical SMILES for 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine is Cn1cnc2c1CC(C)(C)CC2N.
What is the InChIKey of 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine?
The InChIKey is HLHGLLXJRALAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2)4-7(11)9-8(5-10)13(3)6-12-9/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine?
1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-5,7-dihydro-4H-benzimidazol-4-amine is sourced from PubChem (CID 83875274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).