2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine

C13H28N2 — CID 103460559

IUPAC2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCC1CCCCN1C
InChIInChI=1S/C13H28N2/c1-5-13(2,3)11-14-10-12-8-6-7-9-15(12)4/h12,14H,5-11H2,1-4H3
InChIKeyHMEUAKHIUFOPQW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine

2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 103460559) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID103460559
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCC1CCCCN1C
InChIInChI=1S/C13H28N2/c1-5-13(2,3)11-14-10-12-8-6-7-9-15(12)4/h12,14H,5-11H2,1-4H3
InChIKeyHMEUAKHIUFOPQW-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654671
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 62657745
2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol
CID 62657761
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
N-cyclopentyloxy-1-(1-methylpiperidin-2-yl)methanamine
CID 83228434
N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine
CID 103462171
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine (CID 103460559) is 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine is CCC(C)(C)CNCC1CCCCN1C.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is HMEUAKHIUFOPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(2,3)11-14-10-12-8-6-7-9-15(12)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 103460559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).