3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine

C12H26N2 — CID 117242326

IUPAC3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(CN)CN1CCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,3)11(9-13)10-14-7-5-4-6-8-14/h11H,4-10,13H2,1-3H3
InChIKeyLHWIGHNDJUQBRG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine

3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine (PubChem CID 117242326) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
PubChem CID117242326
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(CN)CN1CCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,3)11(9-13)10-14-7-5-4-6-8-14/h11H,4-10,13H2,1-3H3
InChIKeyLHWIGHNDJUQBRG-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
2-fluoro-3-piperidin-1-ylpropan-1-amine
CID 84651060
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366077
2-(azepan-1-ylmethyl)-3,3-dimethylbutanoic acid
CID 117242461
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
CID 117245614
ethane;piperidin-1-ylmethanamine
CID 166079141
1-(2-methoxy-3-methylbutyl)piperidine
CID 171774550

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine (CID 117242326) is 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine is CC(C)(C)C(CN)CN1CCCCC1.
What is the InChIKey of 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine?
The InChIKey is LHWIGHNDJUQBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)11(9-13)10-14-7-5-4-6-8-14/h11H,4-10,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine?
3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 117242326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).