2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane

C24H55NO — CID 158438314

IUPAC2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
SMILESC.CC(C)(C)CN1CCCCC1.CCC(C)(C)C.CCOCC(C)(C)C
InChIInChI=1S/C10H21N.C7H16O.C6H14.CH4/c1-10(2,3)9-11-7-5-4-6-8-11;1-5-8-6-7(2,3)4;1-5-6(2,3)4;/h4-9H2,1-3H3;5-6H2,1-4H3;5H2,1-4H3;1H4
InChIKeyHCMRSBKNZHDGRF-UHFFFAOYSA-N
MW373.71 g/mol
LogP7.67
Rot. Bonds3

About 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane

2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane (PubChem CID 158438314) has the molecular formula C24H55NO and a molecular weight of 373.71 g/mol. Its IUPAC name is 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane.

Molecular Properties

Compound Name2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
PubChem CID158438314
Molecular FormulaC24H55NO
Molecular Weight373.71 g/mol
Exact Mass373.43
IUPAC Name2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
SMILESC.CC(C)(C)CN1CCCCC1.CCC(C)(C)C.CCOCC(C)(C)C
InChIInChI=1S/C10H21N.C7H16O.C6H14.CH4/c1-10(2,3)9-11-7-5-4-6-8-11;1-5-8-6-7(2,3)4;1-5-6(2,3)4;/h4-9H2,1-3H3;5-6H2,1-4H3;5H2,1-4H3;1H4
InChIKeyHCMRSBKNZHDGRF-UHFFFAOYSA-N
XLogP7.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.71
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethylbutyl 3-piperidinopropyl ether
CID 9794557
1-(2,2-Dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 75396291
4-(4,4-Dimethylpentyl)morpholine
CID 20587832
1-[2-(3,3-Dimethylbutoxy)ethyl]piperidine
CID 23381228
4-(3-Ethyl-3-methylpentyl)morpholine
CID 53892310
4-Tert-butyl-4-(2,2-dimethylpropoxy)-1-ethylpiperidine
CID 58993889
1-(3,3-Dimethylbutyl)-4-methoxypiperidine
CID 59751866
1-(2,2-Dimethylpropoxymethyl)piperidine
CID 68196821
4-(Ethoxymethyl)-1-ethyl-4-methylpiperidine
CID 68275060
4-(Ethoxymethyl)-1,4-dimethylpiperidine
CID 68275294
4-(3,3-Dimethylpentyl)morpholine
CID 68398113
4-(Methoxymethyl)-1,4-dimethylpiperidine
CID 90227645

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane?
The IUPAC name of 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane (CID 158438314) is 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane.
What is the SMILES notation for 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane?
The canonical SMILES for 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane is C.CC(C)(C)CN1CCCCC1.CCC(C)(C)C.CCOCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane?
The InChIKey is HCMRSBKNZHDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C7H16O.C6H14.CH4/c1-10(2,3)9-11-7-5-4-6-8-11;1-5-8-6-7(2,3)4;1-5-6(2,3)4;/h4-9H2,1-3H3;5-6H2,1-4H3;5H2,1-4H3;1H4.
What are the key properties of 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane?
2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane has a molecular weight of 373.71 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane is sourced from PubChem (CID 158438314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).