N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine

C16H30N2 — CID 21306399

IUPACN-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESC#CC1(NC(C)(C)C)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H30N2/c1-10-16(17-13(2,3)4)11-14(5,6)18(9)15(7,8)12-16/h1,17H,11-12H2,2-9H3
InChIKeyYKQKTEUOXZILHJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds1

About N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine

N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 21306399) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
PubChem CID21306399
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESC#CC1(NC(C)(C)C)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H30N2/c1-10-16(17-13(2,3)4)11-14(5,6)18(9)15(7,8)12-16/h1,17H,11-12H2,2-9H3
InChIKeyYKQKTEUOXZILHJ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-ethynyl-1-methylpiperidin-3-amine
CID 21306391
N-tert-butyl-1-ethynylcyclopentan-1-amine
CID 130011487
N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
CID 59913364
N-tert-butyl-3-ethynylpyrrolidin-3-amine
CID 59913349
N-tert-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 121450520
1,2,2,6,6-pentamethyl-4,4-bis(nitromethyl)piperidine
CID 155683048
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile
CID 11745538
1,2,2,4,4,5,6,6,8,8-decamethylazocane
CID 138617054
2-tert-butyl-2,4,4-trimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pentanamide
CID 135191358
(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide
CID 88809463
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
The IUPAC name of N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine (CID 21306399) is N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine.
What is the SMILES notation for N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
The canonical SMILES for N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine is C#CC1(NC(C)(C)C)CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
The InChIKey is YKQKTEUOXZILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-10-16(17-13(2,3)4)11-14(5,6)18(9)15(7,8)12-16/h1,17H,11-12H2,2-9H3.
What are the key properties of N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 21306399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).