2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine

C13H26N2 — CID 20501062

IUPAC2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1C(C)(C)CC(N)CC1(C)CC
InChIInChI=1S/C13H26N2/c1-6-8-15-12(3,4)9-11(14)10-13(15,5)7-2/h6,11H,1,7-10,14H2,2-5H3
InChIKeyPVUSXHLOKVKYEU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds3

About 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine

2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine (PubChem CID 20501062) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine
PubChem CID20501062
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1C(C)(C)CC(N)CC1(C)CC
InChIInChI=1S/C13H26N2/c1-6-8-15-12(3,4)9-11(14)10-13(15,5)7-2/h6,11H,1,7-10,14H2,2-5H3
InChIKeyPVUSXHLOKVKYEU-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-Diethyl-1,2,6-trimethylpiperidin-4-amine
CID 12991978
N,2,2,6,6-pentamethyl-N-prop-2-enylpiperidin-4-amine
CID 18619904
N-butyl-2,2,6,6-tetramethyl-N-prop-2-enylpiperidin-4-amine
CID 18619909
2,2,6,6-Tetramethyl-1-(prop-2-en-1-yl)piperidin-4-amine
CID 19090272
1,2,2,6,6-pentamethyl-N-(2-methylprop-2-enyl)piperidin-4-amine
CID 20259126
2,6-Diethyl-2,3,6-trimethyl-1-prop-2-enylpiperidin-4-amine
CID 20270968
2-Ethyl-2,3-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20270972
2-Ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501051
2-Ethyl-1,2,6,6-tetramethylpiperidin-4-amine
CID 20501055
2,2-Diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-amine
CID 20501057
2,2-Dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20501060
2,2-Diethyl-1,6,6-trimethylpiperidin-4-amine
CID 20501067

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine (CID 20501062) is 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine is C=CCN1C(C)(C)CC(N)CC1(C)CC.
What is the InChIKey of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine?
The InChIKey is PVUSXHLOKVKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-8-15-12(3,4)9-11(14)10-13(15,5)7-2/h6,11H,1,7-10,14H2,2-5H3.
What are the key properties of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine?
2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 20501062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).