N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine

C12H23N — CID 175623682

IUPACN-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine
SMILESC=C(C)CCC1(CNCC)CCC1
InChIInChI=1S/C12H23N/c1-4-13-10-12(7-5-8-12)9-6-11(2)3/h13H,2,4-10H2,1,3H3
InChIKeyVWTFPSUAUONZQM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds6

About N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine

N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine (PubChem CID 175623682) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine
PubChem CID175623682
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine
SMILESC=C(C)CCC1(CNCC)CCC1
InChIInChI=1S/C12H23N/c1-4-13-10-12(7-5-8-12)9-6-11(2)3/h13H,2,4-10H2,1,3H3
InChIKeyVWTFPSUAUONZQM-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine
CID 91034487
N-[[1-(ethoxymethyl)cyclopentyl]methyl]ethanamine
CID 103984503
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
CID 114230934
N-[[1-(3-methylbutyl)cyclopropyl]methyl]ethanamine
CID 66026435
N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
1-(ethylaminomethyl)-2,3-dimethylcyclohexan-1-ol
CID 64755854
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
N-[[1-[(4-ethylpiperazin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 62263344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine (CID 175623682) is N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine is C=C(C)CCC1(CNCC)CCC1.
What is the InChIKey of N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine?
The InChIKey is VWTFPSUAUONZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-13-10-12(7-5-8-12)9-6-11(2)3/h13H,2,4-10H2,1,3H3.
What are the key properties of N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine?
N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbut-3-enyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 175623682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).