3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine

C16H27N — CID 81417681

IUPAC3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine
SMILESCNC1CC(C23CC4CC(CC(C4)C2)C3)C1C
InChIInChI=1S/C16H27N/c1-10-14(6-15(10)17-2)16-7-11-3-12(8-16)5-13(4-11)9-16/h10-15,17H,3-9H2,1-2H3
InChIKeyUSOMGQOSSOYUTN-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.45
Rot. Bonds2

About 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine

3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine (PubChem CID 81417681) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine
PubChem CID81417681
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine
SMILESCNC1CC(C23CC4CC(CC(C4)C2)C3)C1C
InChIInChI=1S/C16H27N/c1-10-14(6-15(10)17-2)16-7-11-3-12(8-16)5-13(4-11)9-16/h10-15,17H,3-9H2,1-2H3
InChIKeyUSOMGQOSSOYUTN-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine (CID 81417681) is 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine is CNC1CC(C23CC4CC(CC(C4)C2)C3)C1C.
What is the InChIKey of 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine?
The InChIKey is USOMGQOSSOYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-10-14(6-15(10)17-2)16-7-11-3-12(8-16)5-13(4-11)9-16/h10-15,17H,3-9H2,1-2H3.
What are the key properties of 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine?
3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81417681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).