3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol

C12H25NO2 — CID 102848821

IUPAC3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
SMILESCOCCCCN(CCCO)C1CCC1
InChIInChI=1S/C12H25NO2/c1-15-11-3-2-8-13(9-5-10-14)12-6-4-7-12/h12,14H,2-11H2,1H3
InChIKeyOHQDURNXFUEFTF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds9

About 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol

3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol (PubChem CID 102848821) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
PubChem CID102848821
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
SMILESCOCCCCN(CCCO)C1CCC1
InChIInChI=1S/C12H25NO2/c1-15-11-3-2-8-13(9-5-10-14)12-6-4-7-12/h12,14H,2-11H2,1H3
InChIKeyOHQDURNXFUEFTF-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 115679647
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1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992282
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
CID 102869386
N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine
CID 56792218
2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
CID 104647778
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
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N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol (CID 102848821) is 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol is COCCCCN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol?
The InChIKey is OHQDURNXFUEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-15-11-3-2-8-13(9-5-10-14)12-6-4-7-12/h12,14H,2-11H2,1H3.
What are the key properties of 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol?
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol is sourced from PubChem (CID 102848821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).