N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine

C17H27N3 — CID 106555864

IUPACN-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N3/c1-12(2)11-20-4-3-18-16(20)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h3-4,12-15H,5-11H2,1-2H3,(H,18,19)
InChIKeySQMAMVCNIWSLLN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.92
Rot. Bonds4

About N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine

N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106555864) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106555864
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N3/c1-12(2)11-20-4-3-18-16(20)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h3-4,12-15H,5-11H2,1-2H3,(H,18,19)
InChIKeySQMAMVCNIWSLLN-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine (CID 106555864) is N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is SQMAMVCNIWSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)11-20-4-3-18-16(20)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h3-4,12-15H,5-11H2,1-2H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine?
N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106555864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).