N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine

C16H23N3 — CID 106555856

IUPACN-(1-adamantyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3/c1-2-4-19-5-3-17-15(19)18-16-9-12-6-13(10-16)8-14(7-12)11-16/h2-3,5,12-14H,1,4,6-11H2,(H,17,18)
InChIKeyCNCHXJNBAGJLJU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.45
Rot. Bonds4

About N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine

N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106555856) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106555856
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(1-adamantyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3/c1-2-4-19-5-3-17-15(19)18-16-9-12-6-13(10-16)8-14(7-12)11-16/h2-3,5,12-14H,1,4,6-11H2,(H,17,18)
InChIKeyCNCHXJNBAGJLJU-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine (CID 106555856) is N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is CNCHXJNBAGJLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-4-19-5-3-17-15(19)18-16-9-12-6-13(10-16)8-14(7-12)11-16/h2-3,5,12-14H,1,4,6-11H2,(H,17,18).
What are the key properties of N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine?
N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.45, 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-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106555856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).