3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine

C11H24N2 — CID 16791955

IUPAC3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCN(C(CN)C(C)C)CC1
InChIInChI=1S/C11H24N2/c1-9(2)11(8-12)13-6-4-10(3)5-7-13/h9-11H,4-8,12H2,1-3H3
InChIKeyPKIPECFUQYPWAD-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine

3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 16791955) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
PubChem CID16791955
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCN(C(CN)C(C)C)CC1
InChIInChI=1S/C11H24N2/c1-9(2)11(8-12)13-6-4-10(3)5-7-13/h9-11H,4-8,12H2,1-3H3
InChIKeyPKIPECFUQYPWAD-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine (CID 16791955) is 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine is CC1CCN(C(CN)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is PKIPECFUQYPWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)11(8-12)13-6-4-10(3)5-7-13/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
3-methyl-2-(4-methylpiperidin-1-yl)butan-1-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-2-(4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 16791955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).