1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol

C12H22N2O2 — CID 79384583

IUPAC1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCC(N)C(c1ccco1)N(C)CC(C)(C)O
InChIInChI=1S/C12H22N2O2/c1-9(13)11(10-6-5-7-16-10)14(4)8-12(2,3)15/h5-7,9,11,15H,8,13H2,1-4H3
InChIKeyJMIJWBGZOXOLET-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.37
Rot. Bonds5

About 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79384583) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79384583
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCC(N)C(c1ccco1)N(C)CC(C)(C)O
InChIInChI=1S/C12H22N2O2/c1-9(13)11(10-6-5-7-16-10)14(4)8-12(2,3)15/h5-7,9,11,15H,8,13H2,1-4H3
InChIKeyJMIJWBGZOXOLET-UHFFFAOYSA-N
XLogP1.37
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-amino-1-(furan-2-yl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947988
1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
2-[[2-amino-1-(furan-2-yl)propyl]-(2-methoxyethyl)amino]ethanol
CID 113467681
1-(furan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16795656
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387
1-(furan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053383
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
2,2-dimethylpropyl-[(1S,2R)-1-(furan-2-yl)-5-hydroxy-2-methylpentyl]carbamic acid
CID 118468803
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol (CID 79384583) is 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol is CC(N)C(c1ccco1)N(C)CC(C)(C)O.
What is the InChIKey of 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is JMIJWBGZOXOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(13)11(10-6-5-7-16-10)14(4)8-12(2,3)15/h5-7,9,11,15H,8,13H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).