N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine

C12H24N2 — CID 80997690

IUPACN-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(C)CN(CC)C1CCC1CNC
InChIInChI=1S/C12H24N2/c1-5-14(9-10(2)3)12-7-6-11(12)8-13-4/h11-13H,2,5-9H2,1,3-4H3
InChIKeyUATXIVYOXLZQOV-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds6

About N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine

N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine (PubChem CID 80997690) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine
PubChem CID80997690
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(C)CN(CC)C1CCC1CNC
InChIInChI=1S/C12H24N2/c1-5-14(9-10(2)3)12-7-6-11(12)8-13-4/h11-13H,2,5-9H2,1,3-4H3
InChIKeyUATXIVYOXLZQOV-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine
CID 114011270
N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80997727
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376
N-ethyl-2-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004723
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 81005332
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 112665966
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231
N-ethyl-N-(2-methylprop-2-enyl)-1-propylpiperidin-4-amine
CID 783901
2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 80999733
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 81004867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine (CID 80997690) is N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine is C=C(C)CN(CC)C1CCC1CNC.
What is the InChIKey of N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The InChIKey is UATXIVYOXLZQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-14(9-10(2)3)12-7-6-11(12)8-13-4/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 80997690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).