[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine

C11H24N2 — CID 82602052

IUPAC[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
SMILESCC(C)(C)CC1CNCCC1CN
InChIInChI=1S/C11H24N2/c1-11(2,3)6-10-8-13-5-4-9(10)7-12/h9-10,13H,4-8,12H2,1-3H3
InChIKeyZURQBMULNOBIEK-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.61
Rot. Bonds2

About [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine

[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine (PubChem CID 82602052) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
PubChem CID82602052
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
SMILESCC(C)(C)CC1CNCCC1CN
InChIInChI=1S/C11H24N2/c1-11(2,3)6-10-8-13-5-4-9(10)7-12/h9-10,13H,4-8,12H2,1-3H3
InChIKeyZURQBMULNOBIEK-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
[3-(2-methylpropyl)piperidin-4-yl]methanamine
CID 84765835
4-(2,2-dimethylpropyl)-3-methoxypiperidine
CID 105441862
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
2-[3-(2,2-dimethylpropyl)pyrrolidin-2-yl]ethanamine
CID 82602050
3-(2,2-dimethylpropyl)piperidine
CID 21041533
(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
CID 58286803
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
CID 15729391
2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
CID 143374848
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
CID 117104669

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine?
The IUPAC name of [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine (CID 82602052) is [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine is CC(C)(C)CC1CNCCC1CN.
What is the InChIKey of [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine?
The InChIKey is ZURQBMULNOBIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2,3)6-10-8-13-5-4-9(10)7-12/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine?
[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine has a molecular weight of 184.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 82602052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).