1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine

C14H31N3 — CID 66453838

IUPAC1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
SMILESCNC(C)C(C)(C)CN1CCC(N(C)C)CC1
InChIInChI=1S/C14H31N3/c1-12(15-4)14(2,3)11-17-9-7-13(8-10-17)16(5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyLJAYQRIZOYAUQS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds5

About 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine

1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 66453838) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
PubChem CID66453838
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
SMILESCNC(C)C(C)(C)CN1CCC(N(C)C)CC1
InChIInChI=1S/C14H31N3/c1-12(15-4)14(2,3)11-17-9-7-13(8-10-17)16(5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyLJAYQRIZOYAUQS-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine (CID 66453838) is 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine is CNC(C)C(C)(C)CN1CCC(N(C)C)CC1.
What is the InChIKey of 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is LJAYQRIZOYAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(15-4)14(2,3)11-17-9-7-13(8-10-17)16(5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine?
1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 66453838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).