1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol

C12H25NO2 — CID 103917750

IUPAC1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
SMILESCCOC1CC(NCC(O)CC(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-15-12-6-10(7-12)13-8-11(14)5-9(2)3/h9-14H,4-8H2,1-3H3
InChIKeyKKTIKFMQEFKJEP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds7

About 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol

1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol (PubChem CID 103917750) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
PubChem CID103917750
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
SMILESCCOC1CC(NCC(O)CC(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-15-12-6-10(7-12)13-8-11(14)5-9(2)3/h9-14H,4-8H2,1-3H3
InChIKeyKKTIKFMQEFKJEP-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
CID 103921424
3-[(3-ethoxycyclobutyl)amino]-2-methylpropan-1-ol
CID 112553088
3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol
CID 103921698
N-(2-cyclopropylpropyl)-3-ethoxycyclobutan-1-amine
CID 115903592
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
CID 114118763
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
CID 111466545
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532
1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol (CID 103917750) is 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol is CCOC1CC(NCC(O)CC(C)C)C1.
What is the InChIKey of 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol?
The InChIKey is KKTIKFMQEFKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-15-12-6-10(7-12)13-8-11(14)5-9(2)3/h9-14H,4-8H2,1-3H3.
What are the key properties of 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol?
1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 103917750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).