[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine

C12H26N2 — CID 130874625

IUPAC[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine
SMILESCC1CC(CN)CN(C(C)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-9(2)11(4)14-7-10(3)5-12(6-13)8-14/h9-12H,5-8,13H2,1-4H3
InChIKeyMNNGTORARSAKBC-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.95
Rot. Bonds3

About [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine

[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine (PubChem CID 130874625) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine
PubChem CID130874625
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine
SMILESCC1CC(CN)CN(C(C)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-9(2)11(4)14-7-10(3)5-12(6-13)8-14/h9-12H,5-8,13H2,1-4H3
InChIKeyMNNGTORARSAKBC-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine (CID 130874625) is [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine is CC1CC(CN)CN(C(C)C(C)C)C1.
What is the InChIKey of [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine?
The InChIKey is MNNGTORARSAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)11(4)14-7-10(3)5-12(6-13)8-14/h9-12H,5-8,13H2,1-4H3.
What are the key properties of [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine?
[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine has a molecular weight of 198.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 130874625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).