2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine

C13H28N2 — CID 64570270

IUPAC2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)CNCC1CCCCN1C
InChIInChI=1S/C13H28N2/c1-11(2)12(3)9-14-10-13-7-5-6-8-15(13)4/h11-14H,5-10H2,1-4H3
InChIKeyWAMQAEGOYBVFTK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine

2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 64570270) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID64570270
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)CNCC1CCCCN1C
InChIInChI=1S/C13H28N2/c1-11(2)12(3)9-14-10-13-7-5-6-8-15(13)4/h11-14H,5-10H2,1-4H3
InChIKeyWAMQAEGOYBVFTK-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
CID 62655060
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine (CID 64570270) is 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine is CC(C)C(C)CNCC1CCCCN1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is WAMQAEGOYBVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)12(3)9-14-10-13-7-5-6-8-15(13)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 64570270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).