2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine

C13H28N2 — CID 117024779

IUPAC2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
SMILESCCC(C)N1CCC(CCN)C(C)(C)C1
InChIInChI=1S/C13H28N2/c1-5-11(2)15-9-7-12(6-8-14)13(3,4)10-15/h11-12H,5-10,14H2,1-4H3
InChIKeyTZESDFKFKWABKE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine

2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine (PubChem CID 117024779) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
PubChem CID117024779
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
SMILESCCC(C)N1CCC(CCN)C(C)(C)C1
InChIInChI=1S/C13H28N2/c1-5-11(2)15-9-7-12(6-8-14)13(3,4)10-15/h11-12H,5-10,14H2,1-4H3
InChIKeyTZESDFKFKWABKE-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
CID 117024798
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
5-bromo-1-butan-2-yl-3,3-dimethylazepane
CID 130933849
3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
CID 114267629
1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
CID 177203992
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine
CID 130949541
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
CID 117024822
1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170448226
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
2-[4-(2-aminoethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024828
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine (CID 117024779) is 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine is CCC(C)N1CCC(CCN)C(C)(C)C1.
What is the InChIKey of 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine?
The InChIKey is TZESDFKFKWABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(2)15-9-7-12(6-8-14)13(3,4)10-15/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine?
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 117024779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).