2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine

C15H30N2 — CID 117269728

IUPAC2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1CC1CNC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-12(2)17-8-6-5-7-14(17)9-13-10-15(3,4)16-11-13/h12-14,16H,5-11H2,1-4H3
InChIKeyGFFDWYUCYMWAHB-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine

2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine (PubChem CID 117269728) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine
PubChem CID117269728
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1CC1CNC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-12(2)17-8-6-5-7-14(17)9-13-10-15(3,4)16-11-13/h12-14,16H,5-11H2,1-4H3
InChIKeyGFFDWYUCYMWAHB-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228888
1-[(1-propan-2-ylpiperidin-2-yl)methyl]cyclopentan-1-amine
CID 115074045
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
1-[(1-propan-2-ylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 115074095
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
CID 117270087
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine
CID 64839314
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225706
1-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]cyclohexan-1-ol
CID 115073810
1-cyclopropyl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]ethanamine
CID 115895087

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine?
The IUPAC name of 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine (CID 117269728) is 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine is CC(C)N1CCCCC1CC1CNC(C)(C)C1.
What is the InChIKey of 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine?
The InChIKey is GFFDWYUCYMWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)17-8-6-5-7-14(17)9-13-10-15(3,4)16-11-13/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine?
2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 117269728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).