2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine

C18H32N2 — CID 3012265

IUPAC2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H32N2/c1-19(2)5-6-20-4-3-15(12-20)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,3-12H2,1-2H3
InChIKeyBIWRXSBRVYMAOD-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.94
Rot. Bonds4

About 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine

2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine (PubChem CID 3012265) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
PubChem CID3012265
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H32N2/c1-19(2)5-6-20-4-3-15(12-20)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,3-12H2,1-2H3
InChIKeyBIWRXSBRVYMAOD-UHFFFAOYSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine (CID 3012265) is 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is BIWRXSBRVYMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-19(2)5-6-20-4-3-15(12-20)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine?
2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 276.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 3012265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).