N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane

C15H31N — CID 142581839

IUPACN,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane
SMILESCC.CC(C)C=C1CC(C)(CCN(C)C)C1
InChIInChI=1S/C13H25N.C2H6/c1-11(2)8-12-9-13(3,10-12)6-7-14(4)5;1-2/h8,11H,6-7,9-10H2,1-5H3;1-2H3/b12-8-;
InChIKeyYKUDZRVJJGHCTK-JCTPKUEWSA-N
MW225.42 g/mol
LogP4.35
Rot. Bonds4

About N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane

N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane (PubChem CID 142581839) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane
PubChem CID142581839
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane
SMILESCC.CC(C)C=C1CC(C)(CCN(C)C)C1
InChIInChI=1S/C13H25N.C2H6/c1-11(2)8-12-9-13(3,10-12)6-7-14(4)5;1-2/h8,11H,6-7,9-10H2,1-5H3;1-2H3/b12-8-;
InChIKeyYKUDZRVJJGHCTK-JCTPKUEWSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine
CID 142581840
N,N-dimethyl-2-(1-methylcyclobutyl)ethanamine;ethane
CID 144987666
N,N-dimethyl-2-(3-methylpyrrolidin-3-yl)ethanamine;ethane
CID 145166475
N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine
CID 178115894
N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine
CID 170629603
ethane;N-methyl-N-[2-(1-methylcyclopentyl)ethyl]propan-2-amine
CID 166552547
N-methyl-N-[2-(3-methyloxetan-3-yl)ethyl]propan-2-amine
CID 145201975
1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83483096
N,N-dimethyl-2-(2-methyloxolan-2-yl)ethanamine
CID 163403570
diberyllium;hydride;bis(2-methanidylpropane);N,N,N',N'-tetramethylethane-1,2-diamine
CID 135082074
2-(3-ethyloxetan-3-yl)-N,N-dimethylethanamine
CID 144841125
N-methyl-N-[2-(3-methylazetidin-3-yl)ethyl]propan-2-amine;molecular hydrogen
CID 176704428

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane (CID 142581839) is N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane is CC.CC(C)C=C1CC(C)(CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane?
The InChIKey is YKUDZRVJJGHCTK-JCTPKUEWSA-N. The full InChI is InChI=1S/C13H25N.C2H6/c1-11(2)8-12-9-13(3,10-12)6-7-14(4)5;1-2/h8,11H,6-7,9-10H2,1-5H3;1-2H3/b12-8-;.
What are the key properties of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane?
N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane has a molecular weight of 225.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine;ethane is sourced from PubChem (CID 142581839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).