1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium

C17H32N+ — CID 7471211

IUPAC1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium
SMILESC[NH+](CC(C)(C)C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31N/c1-16(2,3)11-18(4)12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-15H,5-12H2,1-4H3/p+1
InChIKeyYAQLVFBVTMVAOW-UHFFFAOYSA-O
MW250.45 g/mol
LogP2.76
Rot. Bonds3

About 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium

1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium (PubChem CID 7471211) has the molecular formula C17H32N+ and a molecular weight of 250.45 g/mol. Its IUPAC name is 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium.

Molecular Properties

Compound Name1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium
PubChem CID7471211
Molecular FormulaC17H32N+
Molecular Weight250.45 g/mol
Exact Mass250.25
IUPAC Name1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium
SMILESC[NH+](CC(C)(C)C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31N/c1-16(2,3)11-18(4)12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-15H,5-12H2,1-4H3/p+1
InChIKeyYAQLVFBVTMVAOW-UHFFFAOYSA-O
XLogP2.76
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium?
The IUPAC name of 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium (CID 7471211) is 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium.
What is the SMILES notation for 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium?
The canonical SMILES for 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium is C[NH+](CC(C)(C)C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium?
The InChIKey is YAQLVFBVTMVAOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H31N/c1-16(2,3)11-18(4)12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-15H,5-12H2,1-4H3/p+1.
What are the key properties of 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium?
1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium has a molecular weight of 250.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl-(2,2-dimethylpropyl)-methylazanium is sourced from PubChem (CID 7471211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).