1-(3-ethoxycyclobutyl)butan-2-amine

C10H21NO — CID 103168205

IUPAC1-(3-ethoxycyclobutyl)butan-2-amine
SMILESCCOC1CC(CC(N)CC)C1
InChIInChI=1S/C10H21NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h8-10H,3-7,11H2,1-2H3
InChIKeyQDWZUSUTLDGSMI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds5

About 1-(3-ethoxycyclobutyl)butan-2-amine

1-(3-ethoxycyclobutyl)butan-2-amine (PubChem CID 103168205) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)butan-2-amine
PubChem CID103168205
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(3-ethoxycyclobutyl)butan-2-amine
SMILESCCOC1CC(CC(N)CC)C1
InChIInChI=1S/C10H21NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h8-10H,3-7,11H2,1-2H3
InChIKeyQDWZUSUTLDGSMI-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethoxyspiro(3.4)octan-1-amine
CID 54596090
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
1-(4-Ethoxycyclohexyl)ethan-1-amine hydrochloride
CID 154842558
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclobutan-1-amine
CID 81013926
1-(3-Ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
CID 103168855
1-(3-Ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
CID 103169305
1-(4-Ethoxycyclohexyl)ethan-1-amine
CID 154842559
(2R)-1-(oxepan-4-yl)pentan-2-amine
CID 59201382
(2R)-1-(oxan-4-yl)pentan-2-amine
CID 59378410
3-Methyl-1-(oxolan-2-yl)butan-1-amine
CID 65331321
1-(4-Methoxycyclohexyl)ethanamine;hydrochloride
CID 69351320

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)butan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)butan-2-amine (CID 103168205) is 1-(3-ethoxycyclobutyl)butan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)butan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)butan-2-amine is CCOC1CC(CC(N)CC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)butan-2-amine?
The InChIKey is QDWZUSUTLDGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)butan-2-amine?
1-(3-ethoxycyclobutyl)butan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)butan-2-amine is sourced from PubChem (CID 103168205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).