1-butan-2-yl-N,N-dimethylpiperidin-4-amine

C11H24N2 — CID 90697678

IUPAC1-butan-2-yl-N,N-dimethylpiperidin-4-amine
SMILESCCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H24N2/c1-5-10(2)13-8-6-11(7-9-13)12(3)4/h10-11H,5-9H2,1-4H3
InChIKeyROVXNHXETZMNNW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds3

About 1-butan-2-yl-N,N-dimethylpiperidin-4-amine

1-butan-2-yl-N,N-dimethylpiperidin-4-amine (PubChem CID 90697678) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-butan-2-yl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-N,N-dimethylpiperidin-4-amine
PubChem CID90697678
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-butan-2-yl-N,N-dimethylpiperidin-4-amine
SMILESCCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H24N2/c1-5-10(2)13-8-6-11(7-9-13)12(3)4/h10-11H,5-9H2,1-4H3
InChIKeyROVXNHXETZMNNW-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine (CID 90697678) is 1-butan-2-yl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-butan-2-yl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-butan-2-yl-N,N-dimethylpiperidin-4-amine is CCC(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine?
The InChIKey is ROVXNHXETZMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-10(2)13-8-6-11(7-9-13)12(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-N,N-dimethylpiperidin-4-amine?
1-butan-2-yl-N,N-dimethylpiperidin-4-amine has a molecular weight of 184.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 90697678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).