1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine

C13H25NO — CID 103168313

IUPAC1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C13H25NO/c1-4-7-12(14-5-2)8-11-9-13(10-11)15-6-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyYGCHNHLDYZWIKW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds8

About 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine

1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine (PubChem CID 103168313) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine
PubChem CID103168313
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C13H25NO/c1-4-7-12(14-5-2)8-11-9-13(10-11)15-6-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyYGCHNHLDYZWIKW-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

2-(4-Dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
CID 155301829
N-ethyl-1-(oxan-3-yl)hex-5-en-1-amine
CID 65331821
N-methyl-1-(oxan-3-yl)hex-5-en-1-amine
CID 65331918
N-ethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 65332035
N-ethyl-1-(oxan-3-yl)pent-4-en-1-amine
CID 65332093
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-propylhex-5-en-1-amine
CID 65333411
1-(oxan-3-yl)-N-propylbut-3-en-1-amine
CID 65333612
1-(oxan-3-yl)-N-propylpent-4-en-1-amine
CID 65333668
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine (CID 103168313) is 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine is C=CCC(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine?
The InChIKey is YGCHNHLDYZWIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-12(14-5-2)8-11-9-13(10-11)15-6-3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine?
1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine is sourced from PubChem (CID 103168313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).