2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol

C17H34N2O2 — CID 102871012

IUPAC2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
SMILESCC(C)CNCC1(CN(CCO)C2CCC2)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-15(2)12-18-13-17(6-10-21-11-7-17)14-19(8-9-20)16-4-3-5-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeySLMXTLWQSCSIIU-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.88
Rot. Bonds9

About 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol

2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol (PubChem CID 102871012) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
PubChem CID102871012
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
SMILESCC(C)CNCC1(CN(CCO)C2CCC2)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-15(2)12-18-13-17(6-10-21-11-7-17)14-19(8-9-20)16-4-3-5-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeySLMXTLWQSCSIIU-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol with MolForge

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Related Compounds

2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
CID 102870849
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62391307
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62391503
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
CID 63745392
N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
CID 62258684
[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol
CID 78987452

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol (CID 102871012) is 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol is CC(C)CNCC1(CN(CCO)C2CCC2)CCOCC1.
What is the InChIKey of 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol?
The InChIKey is SLMXTLWQSCSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2)12-18-13-17(6-10-21-11-7-17)14-19(8-9-20)16-4-3-5-16/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol?
2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol has a molecular weight of 298.47 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 102871012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).