3-ethyl-1-(3-methylbutyl)piperidin-4-amine

C12H26N2 — CID 81457708

IUPAC3-ethyl-1-(3-methylbutyl)piperidin-4-amine
SMILESCCC1CN(CCC(C)C)CCC1N
InChIInChI=1S/C12H26N2/c1-4-11-9-14(7-5-10(2)3)8-6-12(11)13/h10-12H,4-9,13H2,1-3H3
InChIKeyVLMJLMXZXWKZKM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds4

About 3-ethyl-1-(3-methylbutyl)piperidin-4-amine

3-ethyl-1-(3-methylbutyl)piperidin-4-amine (PubChem CID 81457708) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbutyl)piperidin-4-amine
PubChem CID81457708
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-ethyl-1-(3-methylbutyl)piperidin-4-amine
SMILESCCC1CN(CCC(C)C)CCC1N
InChIInChI=1S/C12H26N2/c1-4-11-9-14(7-5-10(2)3)8-6-12(11)13/h10-12H,4-9,13H2,1-3H3
InChIKeyVLMJLMXZXWKZKM-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbutyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(3-methylbutyl)piperidin-4-amine (CID 81457708) is 3-ethyl-1-(3-methylbutyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(3-methylbutyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(3-methylbutyl)piperidin-4-amine is CCC1CN(CCC(C)C)CCC1N.
What is the InChIKey of 3-ethyl-1-(3-methylbutyl)piperidin-4-amine?
The InChIKey is VLMJLMXZXWKZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11-9-14(7-5-10(2)3)8-6-12(11)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylbutyl)piperidin-4-amine?
3-ethyl-1-(3-methylbutyl)piperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbutyl)piperidin-4-amine is sourced from PubChem (CID 81457708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).