1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine

C12H25NO — CID 106824581

IUPAC1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CC(OCC)C1
InChIInChI=1S/C12H25NO/c1-4-7-13-12(5-2)10-8-11(9-10)14-6-3/h10-13H,4-9H2,1-3H3
InChIKeyFLQMPRYTXRVYGH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine

1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine (PubChem CID 106824581) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine
PubChem CID106824581
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CC(OCC)C1
InChIInChI=1S/C12H25NO/c1-4-7-13-12(5-2)10-8-11(9-10)14-6-3/h10-13H,4-9H2,1-3H3
InChIKeyFLQMPRYTXRVYGH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopropyl-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103168873
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[1-cyclopropyl-2-(4-ethoxypiperidin-1-yl)ethyl]propan-1-amine
CID 63914310
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371
N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
CID 64746524
N-ethyl-1-(3-propan-2-ylcyclobutyl)propan-1-amine
CID 103565352
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 103168792
1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
CID 103169441
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine (CID 106824581) is 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine is CCCNC(CC)C1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine?
The InChIKey is FLQMPRYTXRVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-13-12(5-2)10-8-11(9-10)14-6-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine?
1-(3-ethoxycyclobutyl)-N-propylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 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-propylpropan-1-amine is sourced from PubChem (CID 106824581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).