3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine

C11H24N2 — CID 83983005

IUPAC3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
SMILESCC(C)C(N)CC1CCCN(C)C1
InChIInChI=1S/C11H24N2/c1-9(2)11(12)7-10-5-4-6-13(3)8-10/h9-11H,4-8,12H2,1-3H3
InChIKeyLBSVRDHWUJSLSC-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine

3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine (PubChem CID 83983005) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
PubChem CID83983005
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
SMILESCC(C)C(N)CC1CCCN(C)C1
InChIInChI=1S/C11H24N2/c1-9(2)11(12)7-10-5-4-6-13(3)8-10/h9-11H,4-8,12H2,1-3H3
InChIKeyLBSVRDHWUJSLSC-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7727
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1-(1-Isopropyl-3-piperidinyl)methanamine
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3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
N,N-dimethyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
CID 3018747
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
4-Amino-1,2,2,6,6-pentamethylpiperidine
CID 693792
2-[1-(2-Methylpropyl)piperidin-2-yl]ethan-1-amine
CID 45791072
4-Octylpiperidine hydrochloride
CID 24181035
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine (CID 83983005) is 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine is CC(C)C(N)CC1CCCN(C)C1.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine?
The InChIKey is LBSVRDHWUJSLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)11(12)7-10-5-4-6-13(3)8-10/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine?
3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine is sourced from PubChem (CID 83983005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).