2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine

C15H32N2 — CID 114279985

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine
SMILESCC(C)(C)CCC(C)(CN)N1CCCC1(C)C
InChIInChI=1S/C15H32N2/c1-13(2,3)9-10-15(6,12-16)17-11-7-8-14(17,4)5/h7-12,16H2,1-6H3
InChIKeyNMGIYOQWEFGABD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds4

About 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine

2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine (PubChem CID 114279985) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine
PubChem CID114279985
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine
SMILESCC(C)(C)CCC(C)(CN)N1CCCC1(C)C
InChIInChI=1S/C15H32N2/c1-13(2,3)9-10-15(6,12-16)17-11-7-8-14(17,4)5/h7-12,16H2,1-6H3
InChIKeyNMGIYOQWEFGABD-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine (CID 114279985) is 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine is CC(C)(C)CCC(C)(CN)N1CCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine?
The InChIKey is NMGIYOQWEFGABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2,3)9-10-15(6,12-16)17-11-7-8-14(17,4)5/h7-12,16H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine?
2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 114279985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).