1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine

C13H28N2 — CID 141062071

IUPAC1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine
SMILESCCCNC1CCC(C)(C)N(C)C1(C)C
InChIInChI=1S/C13H28N2/c1-7-10-14-11-8-9-12(2,3)15(6)13(11,4)5/h11,14H,7-10H2,1-6H3
InChIKeyJJVKOHAMGCJDHD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds3

About 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine

1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine (PubChem CID 141062071) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine
PubChem CID141062071
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine
SMILESCCCNC1CCC(C)(C)N(C)C1(C)C
InChIInChI=1S/C13H28N2/c1-7-10-14-11-8-9-12(2,3)15(6)13(11,4)5/h11,14H,7-10H2,1-6H3
InChIKeyJJVKOHAMGCJDHD-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine
CID 141475935
2,2,3,3-tetramethyl-N-propylcyclobutan-1-amine
CID 91326970
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
1,2,2,3,6,6-hexamethylpiperidine
CID 22392298
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
CID 178010503
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81418144
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
CID 107164155

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine?
The IUPAC name of 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine (CID 141062071) is 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine is CCCNC1CCC(C)(C)N(C)C1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine?
The InChIKey is JJVKOHAMGCJDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-10-14-11-8-9-12(2,3)15(6)13(11,4)5/h11,14H,7-10H2,1-6H3.
What are the key properties of 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine?
1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-N-propylpiperidin-3-amine is sourced from PubChem (CID 141062071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).