1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

C15H27NO — CID 103163067

IUPAC1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)C1=CCCC1
InChIInChI=1S/C15H27NO/c1-3-16-15(13-7-5-6-8-13)11-12-9-14(10-12)17-4-2/h7,12,14-16H,3-6,8-11H2,1-2H3
InChIKeyTYEVMGMJALPDDF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds7

About 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (PubChem CID 103163067) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
PubChem CID103163067
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)C1=CCCC1
InChIInChI=1S/C15H27NO/c1-3-16-15(13-7-5-6-8-13)11-12-9-14(10-12)17-4-2/h7,12,14-16H,3-6,8-11H2,1-2H3
InChIKeyTYEVMGMJALPDDF-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
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-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62904965
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165
N-[cyclohexen-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014167
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014703
N-[cyclopenten-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014704

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (CID 103163067) is 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is CCNC(CC1CC(OCC)C1)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The InChIKey is TYEVMGMJALPDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-16-15(13-7-5-6-8-13)11-12-9-14(10-12)17-4-2/h7,12,14-16H,3-6,8-11H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103163067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).