1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine

C10H19N — CID 170579599

IUPAC1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine
SMILESC/C=C(\C)C1(CNC)CCC1
InChIInChI=1S/C10H19N/c1-4-9(2)10(8-11-3)6-5-7-10/h4,11H,5-8H2,1-3H3/b9-4+
InChIKeyJLTCPSDJWLEEFV-RUDMXATFSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds3

About 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine

1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine (PubChem CID 170579599) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine
PubChem CID170579599
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine
SMILESC/C=C(\C)C1(CNC)CCC1
InChIInChI=1S/C10H19N/c1-4-9(2)10(8-11-3)6-5-7-10/h4,11H,5-8H2,1-3H3/b9-4+
InChIKeyJLTCPSDJWLEEFV-RUDMXATFSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
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

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(Z)-10-fluoro-N,2,2,4,4-pentamethyldec-6-en-1-amine
CID 143769144
({6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl)(methyl)amine
CID 20828201
1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
CID 11829794
3,3,7-Trimethyloct-6-en-1-amine
CID 18330867
4-(2,2-Dimethylpropyl)-1,2,3,6-tetrahydropyridine
CID 69179038
2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine
CID 71192890
(2R)-N,2-dimethyl-2-propylpent-4-en-1-amine
CID 88908974
{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}(methyl)amine
CID 91108783
N'-[(2-ethyl-4,4-dimethylcyclobut-2-en-1-yl)methyl]-N-methylethane-1,2-diamine
CID 91610358
cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 121451353
5-tert-butyl-2,3,4,7-tetrahydro-1H-azepine
CID 122606712

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine (CID 170579599) is 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine is C/C=C(\C)C1(CNC)CCC1.
What is the InChIKey of 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine?
The InChIKey is JLTCPSDJWLEEFV-RUDMXATFSA-N. The full InChI is InChI=1S/C10H19N/c1-4-9(2)10(8-11-3)6-5-7-10/h4,11H,5-8H2,1-3H3/b9-4+.
What are the key properties of 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine?
1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-but-2-en-2-yl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 170579599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).