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

C13H25NO — CID 103169049

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(CC1CC(OCC)C1)NCC
InChIInChI=1S/C13H25NO/c1-5-14-13(10(3)4)9-11-7-12(8-11)15-6-2/h11-14H,3,5-9H2,1-2,4H3
InChIKeyIODGPWPQJMZWTH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

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

1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 103169049) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID103169049
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(CC1CC(OCC)C1)NCC
InChIInChI=1S/C13H25NO/c1-5-14-13(10(3)4)9-11-7-12(8-11)15-6-2/h11-14H,3,5-9H2,1-2,4H3
InChIKeyIODGPWPQJMZWTH-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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

3-Methyl-2-[1-(propan-2-ylamino)ethyl]-5-propan-2-yloxyhex-1-en-1-one
CID 168074450
N-methyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038290
N-ethyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038291
3-methylidene-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 66038529
N,2-dimethyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79179054
N-ethyl-2-methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79179271
2-methyl-1-(oxan-3-yl)-N-propylprop-2-en-1-amine
CID 79179501
N,3-dimethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184857
N-ethyl-3-methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184966
3-methyl-1-(oxan-3-yl)-N-propylbut-3-en-1-amine
CID 79184967
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163057
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163059

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine (CID 103169049) is 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine is C=C(C)C(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is IODGPWPQJMZWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14-13(10(3)4)9-11-7-12(8-11)15-6-2/h11-14H,3,5-9H2,1-2,4H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103169049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).