3-methyl-1-piperidin-1-ylbutan-2-amine

C10H22N2 — CID 43199751

IUPAC3-methyl-1-piperidin-1-ylbutan-2-amine
SMILESCC(C)C(N)CN1CCCCC1
InChIInChI=1S/C10H22N2/c1-9(2)10(11)8-12-6-4-3-5-7-12/h9-10H,3-8,11H2,1-2H3
InChIKeyAEBCFQAXYZSMIZ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds3

About 3-methyl-1-piperidin-1-ylbutan-2-amine

3-methyl-1-piperidin-1-ylbutan-2-amine (PubChem CID 43199751) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyl-1-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-piperidin-1-ylbutan-2-amine
PubChem CID43199751
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-methyl-1-piperidin-1-ylbutan-2-amine
SMILESCC(C)C(N)CN1CCCCC1
InChIInChI=1S/C10H22N2/c1-9(2)10(11)8-12-6-4-3-5-7-12/h9-10H,3-8,11H2,1-2H3
InChIKeyAEBCFQAXYZSMIZ-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-1-piperidin-1-ylbutan-2-amine (CID 43199751) is 3-methyl-1-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-1-piperidin-1-ylbutan-2-amine is CC(C)C(N)CN1CCCCC1.
What is the InChIKey of 3-methyl-1-piperidin-1-ylbutan-2-amine?
The InChIKey is AEBCFQAXYZSMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)10(11)8-12-6-4-3-5-7-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 3-methyl-1-piperidin-1-ylbutan-2-amine?
3-methyl-1-piperidin-1-ylbutan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 43199751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).