N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine

C16H33N3 — CID 66453022

IUPACN,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H33N3/c1-14(17-4)16(2,3)13-18-11-8-15(12-18)19-9-6-5-7-10-19/h14-15,17H,5-13H2,1-4H3
InChIKeyMCPXLFWUJUTTCJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine

N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine (PubChem CID 66453022) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
PubChem CID66453022
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H33N3/c1-14(17-4)16(2,3)13-18-11-8-15(12-18)19-9-6-5-7-10-19/h14-15,17H,5-13H2,1-4H3
InChIKeyMCPXLFWUJUTTCJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 66454712
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-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 66453843
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 79945323
4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 66452767
1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
CID 66453838
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
1-cyclopentyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746172
3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 175318874
2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
CID 107228991

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine (CID 66453022) is N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine is CNC(C)C(C)(C)CN1CCC(N2CCCCC2)C1.
What is the InChIKey of N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is MCPXLFWUJUTTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(17-4)16(2,3)13-18-11-8-15(12-18)19-9-6-5-7-10-19/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine?
N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 66453022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).