ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine

C13H29N — CID 170772142

IUPACethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
SMILESCC.CC(C)C1CC(C)(C)CCN1C
InChIInChI=1S/C11H23N.C2H6/c1-9(2)10-8-11(3,4)6-7-12(10)5;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyILVGTDZTVDDJMU-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds1

About ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine

ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine (PubChem CID 170772142) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
PubChem CID170772142
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
SMILESCC.CC(C)C1CC(C)(C)CCN1C
InChIInChI=1S/C11H23N.C2H6/c1-9(2)10-8-11(3,4)6-7-12(10)5;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyILVGTDZTVDDJMU-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-propan-2-ylazetidine
CID 23588958
1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane
CID 146572452
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane
CID 149057571
1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105935
(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105344
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane
CID 171818329
2,4,4-trimethyl-1-propan-2-ylpiperidine
CID 177325327
CID 175625880
CID 175625880
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
CID 164942032

Frequently Asked Questions

What is the IUPAC name of ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine?
The IUPAC name of ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine (CID 170772142) is ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine?
The canonical SMILES for ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine is CC.CC(C)C1CC(C)(C)CCN1C.
What is the InChIKey of ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine?
The InChIKey is ILVGTDZTVDDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-9(2)10-8-11(3,4)6-7-12(10)5;1-2/h9-10H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine?
ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 170772142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).