1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine

C16H31NO2 — CID 103168859

IUPAC1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCCOC1CC(CC(CCCC2CCCO2)NC)C1
InChIInChI=1S/C16H31NO2/c1-3-18-16-11-13(12-16)10-14(17-2)6-4-7-15-8-5-9-19-15/h13-17H,3-12H2,1-2H3
InChIKeyYHTWWVXRGIMOIX-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine

1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 103168859) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID103168859
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCCOC1CC(CC(CCCC2CCCO2)NC)C1
InChIInChI=1S/C16H31NO2/c1-3-18-16-11-13(12-16)10-14(17-2)6-4-7-15-8-5-9-19-15/h13-17H,3-12H2,1-2H3
InChIKeyYHTWWVXRGIMOIX-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxycyclobutyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 103168865
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
2-(3-ethoxycyclobutyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 103168628
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine (CID 103168859) is 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine is CCOC1CC(CC(CCCC2CCCO2)NC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is YHTWWVXRGIMOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-18-16-11-13(12-16)10-14(17-2)6-4-7-15-8-5-9-19-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 103168859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).