2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H32N2 — CID 20501096

IUPAC2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCC1(CC)CC(N)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C16H32N2/c1-7-16(8-2)12-14(17)11-15(5,6)18(16)10-9-13(3)4/h9,14H,7-8,10-12,17H2,1-6H3
InChIKeyKSNBHJSIGAISGK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.71
Rot. Bonds4

About 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine

2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 20501096) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID20501096
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCC1(CC)CC(N)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C16H32N2/c1-7-16(8-2)12-14(17)11-15(5,6)18(16)10-9-13(3)4/h9,14H,7-8,10-12,17H2,1-6H3
InChIKeyKSNBHJSIGAISGK-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.71
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

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
2,2-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-Ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-amine
CID 20501062
2,2,6,6-Tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501078
2,2-Dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine
CID 20561179
N-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 21092705

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 20501096) is 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine is CCC1(CC)CC(N)CC(C)(C)N1CC=C(C)C.
What is the InChIKey of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is KSNBHJSIGAISGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-16(8-2)12-14(17)11-15(5,6)18(16)10-9-13(3)4/h9,14H,7-8,10-12,17H2,1-6H3.
What are the key properties of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 20501096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).