ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine

C17H35NO — CID 176554641

IUPACethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
SMILESC=C(NC1C(C)(C)C(OCC)C1(C)C)C(C)C.CC
InChIInChI=1S/C15H29NO.C2H6/c1-9-17-13-14(5,6)12(15(13,7)8)16-11(4)10(2)3;1-2/h10,12-13,16H,4,9H2,1-3,5-8H3;1-2H3
InChIKeyQMRGEMBXCKZLII-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.61
Rot. Bonds5

About ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine

ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine (PubChem CID 176554641) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Nameethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
PubChem CID176554641
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
SMILESC=C(NC1C(C)(C)C(OCC)C1(C)C)C(C)C.CC
InChIInChI=1S/C15H29NO.C2H6/c1-9-17-13-14(5,6)12(15(13,7)8)16-11(4)10(2)3;1-2/h10,12-13,16H,4,9H2,1-3,5-8H3;1-2H3
InChIKeyQMRGEMBXCKZLII-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine with MolForge

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Related Compounds

N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine
CID 162521988
N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine
CID 178123000
N-[3-(2,2-dimethylpentoxy)-2,2-dimethylpropyl]hex-1-en-2-amine;ethane
CID 178123004
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine
CID 178123007
3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane
CID 178123020
2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850594
2,2-dimethyl-N-(2-methylpentan-3-yl)-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852352
2,2-dimethyl-N-(4-methylpentan-2-yl)-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64853124
N-(2,2-dimethylbutyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103460726
3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine
CID 104582611
N-but-3-enyl-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 105840529
3-methoxy-2,2-dimethyl-N-(2-methylidenebutyl)cyclobutan-1-amine
CID 105840564

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine?
The IUPAC name of ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine (CID 176554641) is ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine.
What is the SMILES notation for ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine?
The canonical SMILES for ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine is C=C(NC1C(C)(C)C(OCC)C1(C)C)C(C)C.CC.
What is the InChIKey of ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine?
The InChIKey is QMRGEMBXCKZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C2H6/c1-9-17-13-14(5,6)12(15(13,7)8)16-11(4)10(2)3;1-2/h10,12-13,16H,4,9H2,1-3,5-8H3;1-2H3.
What are the key properties of ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine?
ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 176554641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).