N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine

C12H26N2 — CID 22096497

IUPACN,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCN(C)C)CC1(C)C
InChIInChI=1S/C12H26N2/c1-11-6-7-14(9-8-13(4)5)10-12(11,2)3/h11H,6-10H2,1-5H3
InChIKeyBGAOCYZZYYGNSA-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.92
Rot. Bonds3

About N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine

N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine (PubChem CID 22096497) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine
PubChem CID22096497
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCN(C)C)CC1(C)C
InChIInChI=1S/C12H26N2/c1-11-6-7-14(9-8-13(4)5)10-12(11,2)3/h11H,6-10H2,1-5H3
InChIKeyBGAOCYZZYYGNSA-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-1-ethylpiperidine
CID 287952
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047
1-[1-Methyl-4-(propan-2-yl)piperidin-4-yl]methanamine
CID 82598285
4-Tert-butyl-1-propan-2-ylpiperidine
CID 12722193
1,4-Ditert-butylpiperidine
CID 12722194
1,3,4-Trimethylpiperidine
CID 14454423
1,2-Dimethyl-4-t-butylpiperidine
CID 89116342
4-Tert-butyl-1-chloropiperidine
CID 89161624
4-Tert-butyl-3-fluoro-1-methylpiperidine
CID 58286864
(3R,4S)-4-tert-butyl-1-ethyl-3-fluoropiperidine
CID 58394716
(3S,4R)-4-tert-butyl-1-ethyl-3-fluoropiperidine
CID 58394741
4-Tert-butyl-1-ethyl-3-fluoropiperidine
CID 58530458

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine (CID 22096497) is N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine is CC1CCN(CCN(C)C)CC1(C)C.
What is the InChIKey of N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is BGAOCYZZYYGNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11-6-7-14(9-8-13(4)5)10-12(11,2)3/h11H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine?
N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 22096497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).