3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol

C16H32N2O2 — CID 102870849

IUPAC3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
SMILESCCNCC1(CN(CCCO)C2CCC2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-2-17-13-16(7-11-20-12-8-16)14-18(9-4-10-19)15-5-3-6-15/h15,17,19H,2-14H2,1H3
InChIKeyMTUNLAKRZRXYQG-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds9

About 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol

3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol (PubChem CID 102870849) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
PubChem CID102870849
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
SMILESCCNCC1(CN(CCCO)C2CCC2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-2-17-13-16(7-11-20-12-8-16)14-18(9-4-10-19)15-5-3-6-15/h15,17,19H,2-14H2,1H3
InChIKeyMTUNLAKRZRXYQG-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
CID 102870862
2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
CID 102871012
2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
CID 62392546
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62391503
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391501
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435
N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62256256
3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
CID 114230934
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol (CID 102870849) is 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol is CCNCC1(CN(CCCO)C2CCC2)CCOCC1.
What is the InChIKey of 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol?
The InChIKey is MTUNLAKRZRXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-17-13-16(7-11-20-12-8-16)14-18(9-4-10-19)15-5-3-6-15/h15,17,19H,2-14H2,1H3.
What are the key properties of 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol?
3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 102870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).