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

C13H25N — CID 142581840

IUPACN,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine
SMILESCC(C)C=C1CC(C)(CCN(C)C)C1
InChIInChI=1S/C13H25N/c1-11(2)8-12-9-13(3,10-12)6-7-14(4)5/h8,11H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyCZHGUSHDJXNZJV-WQLSENKSSA-N
MW195.35 g/mol
LogP3.32
Rot. Bonds4

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

N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine (PubChem CID 142581840) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine
PubChem CID142581840
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine
SMILESCC(C)C=C1CC(C)(CCN(C)C)C1
InChIInChI=1S/C13H25N/c1-11(2)8-12-9-13(3,10-12)6-7-14(4)5/h8,11H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyCZHGUSHDJXNZJV-WQLSENKSSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.32
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;ethane
CID 142581839
N,N-dimethyl-2-(1-methylcyclobutyl)ethanamine;ethane
CID 144987666
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
N,N-dimethyl-2-(3-methylpyrrolidin-3-yl)ethanamine;ethane
CID 145166475
N-methyl-N-[2-(3-methyloxetan-3-yl)ethyl]propan-2-amine
CID 145201975
ethane;N-methyl-N-[2-(1-methylcyclopentyl)ethyl]propan-2-amine
CID 166552547
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
[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate
CID 139322034

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine (CID 142581840) is N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine is 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?
The InChIKey is CZHGUSHDJXNZJV-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)8-12-9-13(3,10-12)6-7-14(4)5/h8,11H,6-7,9-10H2,1-5H3/b12-8-.
What are the key properties of N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine?
N,N-dimethyl-2-[1-methyl-3-(2-methylpropylidene)cyclobutyl]ethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.32, 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 is sourced from PubChem (CID 142581840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).