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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Related Compounds

4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 66452767
N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 66454712
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 66453843
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 66453022
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64795781
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 79945527
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
CID 104960616
2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
CID 107228991
2-[2,2-dimethyl-3-(methylamino)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399560
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
CID 63165200

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).