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

C12H23NO — CID 103168311

IUPAC1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(CC1CC(OCC)C1)NC
InChIInChI=1S/C12H23NO/c1-4-6-11(13-3)7-10-8-12(9-10)14-5-2/h4,10-13H,1,5-9H2,2-3H3
InChIKeyPIERYMLOODZZDD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

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

1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine (PubChem CID 103168311) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
PubChem CID103168311
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(CC1CC(OCC)C1)NC
InChIInChI=1S/C12H23NO/c1-4-6-11(13-3)7-10-8-12(9-10)14-5-2/h4,10-13H,1,5-9H2,2-3H3
InChIKeyPIERYMLOODZZDD-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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
(5S)-N-methyl-5-(3-methyloxiran-2-yl)hept-6-en-1-amine
CID 156107887
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,3-dimethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184857

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine (CID 103168311) is 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine is C=CCC(CC1CC(OCC)C1)NC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine?
The InChIKey is PIERYMLOODZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-11(13-3)7-10-8-12(9-10)14-5-2/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine?
1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 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-methylpent-4-en-2-amine is sourced from PubChem (CID 103168311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).