N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine

C16H25N3 — CID 106576664

IUPACN-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC23CC4CC(C)(CC(C)(C4)C2)C3)[nH]1
InChIInChI=1S/C16H25N3/c1-11-7-17-13(18-11)19-16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h7,12H,4-6,8-10H2,1-3H3,(H2,17,18,19)
InChIKeyWYPZAQMSIJNQSZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.88
Rot. Bonds2

About N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine

N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine (PubChem CID 106576664) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine
PubChem CID106576664
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC23CC4CC(C)(CC(C)(C4)C2)C3)[nH]1
InChIInChI=1S/C16H25N3/c1-11-7-17-13(18-11)19-16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h7,12H,4-6,8-10H2,1-3H3,(H2,17,18,19)
InChIKeyWYPZAQMSIJNQSZ-UHFFFAOYSA-N
XLogP3.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine (CID 106576664) is N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine is Cc1cnc(NC23CC4CC(C)(CC(C)(C4)C2)C3)[nH]1.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine?
The InChIKey is WYPZAQMSIJNQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-7-17-13(18-11)19-16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h7,12H,4-6,8-10H2,1-3H3,(H2,17,18,19).
What are the key properties of N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine?
N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-adamantyl)-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 106576664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).