4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol

C13H22N2O3 — CID 114948505

IUPAC4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CN)c1ccco1
InChIInChI=1S/C13H22N2O3/c1-15(10-13(16)4-7-17-8-5-13)11(9-14)12-3-2-6-18-12/h2-3,6,11,16H,4-5,7-10,14H2,1H3
InChIKeyXZMAJNCQIQMAOZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds5

About 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol

4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114948505) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
PubChem CID114948505
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CN)c1ccco1
InChIInChI=1S/C13H22N2O3/c1-15(10-13(16)4-7-17-8-5-13)11(9-14)12-3-2-6-18-12/h2-3,6,11,16H,4-5,7-10,14H2,1H3
InChIKeyXZMAJNCQIQMAOZ-UHFFFAOYSA-N
XLogP0.75
TPSA71.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948515
1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610896
1-[[[2-amino-1-(furan-2-yl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947988
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233414
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948239
4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
CID 114948583
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948474
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol (CID 114948505) is 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C(CN)c1ccco1.
What is the InChIKey of 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is XZMAJNCQIQMAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(10-13(16)4-7-17-8-5-13)11(9-14)12-3-2-6-18-12/h2-3,6,11,16H,4-5,7-10,14H2,1H3.
What are the key properties of 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol?
4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 254.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).