[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine

C13H28N2 — CID 63841352

IUPAC[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(CCC(C)(C)C)C(CN)C1
InChIInChI=1S/C13H28N2/c1-11-5-7-15(12(9-11)10-14)8-6-13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyHBJGUANTNSNNOL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds3

About [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine

[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine (PubChem CID 63841352) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
PubChem CID63841352
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(CCC(C)(C)C)C(CN)C1
InChIInChI=1S/C13H28N2/c1-11-5-7-15(12(9-11)10-14)8-6-13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyHBJGUANTNSNNOL-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine (CID 63841352) is [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine is CC1CCN(CCC(C)(C)C)C(CN)C1.
What is the InChIKey of [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is HBJGUANTNSNNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11-5-7-15(12(9-11)10-14)8-6-13(2,3)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine?
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 63841352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).