1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine

C12H25NO — CID 103168223

IUPAC1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine
SMILESCCOC1CC(CC(N)CC(C)C)C1
InChIInChI=1S/C12H25NO/c1-4-14-12-7-10(8-12)6-11(13)5-9(2)3/h9-12H,4-8,13H2,1-3H3
InChIKeyDABGSKUMPALBAQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine

1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine (PubChem CID 103168223) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine
PubChem CID103168223
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine
SMILESCCOC1CC(CC(N)CC(C)C)C1
InChIInChI=1S/C12H25NO/c1-4-14-12-7-10(8-12)6-11(13)5-9(2)3/h9-12H,4-8,13H2,1-3H3
InChIKeyDABGSKUMPALBAQ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Methylpropyl)oxan-4-amine
CID 64104920
8,8-Dimethyl-2-oxabicyclo(4.2.0)octan-7-amine
CID 54595224
3-Ethoxyspiro(3.5)nonan-1-amine
CID 54595389
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
1-(4-Ethoxycyclohexyl)ethan-1-amine hydrochloride
CID 154842558
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 103168854
1-(3-Ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
CID 103168855
1-(3-Ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
CID 103169305
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 112564146

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine (CID 103168223) is 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine is CCOC1CC(CC(N)CC(C)C)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine?
The InChIKey is DABGSKUMPALBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-14-12-7-10(8-12)6-11(13)5-9(2)3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine?
1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-methylpentan-2-amine is sourced from PubChem (CID 103168223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).