4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine

C11H22N4 — CID 82239206

IUPAC4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(C)C(C)CC(C)C)c(N)[nH]1
InChIInChI=1S/C11H22N4/c1-7(2)6-8(3)15(5)11-10(12)13-9(4)14-11/h7-8H,6,12H2,1-5H3,(H,13,14)
InChIKeySGENFPBASSTEKC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.17
Rot. Bonds4

About 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine

4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine (PubChem CID 82239206) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine
PubChem CID82239206
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(C)C(C)CC(C)C)c(N)[nH]1
InChIInChI=1S/C11H22N4/c1-7(2)6-8(3)15(5)11-10(12)13-9(4)14-11/h7-8H,6,12H2,1-5H3,(H,13,14)
InChIKeySGENFPBASSTEKC-UHFFFAOYSA-N
XLogP2.17
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine (CID 82239206) is 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine is Cc1nc(N(C)C(C)CC(C)C)c(N)[nH]1.
What is the InChIKey of 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine?
The InChIKey is SGENFPBASSTEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7(2)6-8(3)15(5)11-10(12)13-9(4)14-11/h7-8H,6,12H2,1-5H3,(H,13,14).
What are the key properties of 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine?
4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82239206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).