1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine

C11H21NO — CID 103168974

IUPAC1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine
SMILESC=CC(CC1CC(OCC)C1)NC
InChIInChI=1S/C11H21NO/c1-4-10(12-3)6-9-7-11(8-9)13-5-2/h4,9-12H,1,5-8H2,2-3H3
InChIKeyNKOGKZJUCUWHIV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine

1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine (PubChem CID 103168974) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine
PubChem CID103168974
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine
SMILESC=CC(CC1CC(OCC)C1)NC
InChIInChI=1S/C11H21NO/c1-4-10(12-3)6-9-7-11(8-9)13-5-2/h4,9-12H,1,5-8H2,2-3H3
InChIKeyNKOGKZJUCUWHIV-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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

N-ethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 65332035
N-methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 65332193
N-methyl-1-(oxan-3-yl)pent-4-en-1-amine
CID 65332195
1-(oxan-3-yl)-N-propylbut-3-en-1-amine
CID 65333612
N-ethyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 65586906
1-(oxan-3-yl)-N-propylprop-2-en-1-amine
CID 65586908
N-methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 65590014
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163057
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163067
1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163072
1-(3-ethoxycyclobutyl)-N-propylpent-4-en-2-amine
CID 103168310

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine (CID 103168974) is 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine is C=CC(CC1CC(OCC)C1)NC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine?
The InChIKey is NKOGKZJUCUWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(12-3)6-9-7-11(8-9)13-5-2/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine?
1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 103168974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).