2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol

C9H16N2O2 — CID 116957574

IUPAC2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
SMILESCNC(c1ccc(C)o1)C(N)CO
InChIInChI=1S/C9H16N2O2/c1-6-3-4-8(13-6)9(11-2)7(10)5-12/h3-4,7,9,11-12H,5,10H2,1-2H3
InChIKeyVRVCWKRAKFRTFO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.17
Rot. Bonds4

About 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol

2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 116957574) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
PubChem CID116957574
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
SMILESCNC(c1ccc(C)o1)C(N)CO
InChIInChI=1S/C9H16N2O2/c1-6-3-4-8(13-6)9(11-2)7(10)5-12/h3-4,7,9,11-12H,5,10H2,1-2H3
InChIKeyVRVCWKRAKFRTFO-UHFFFAOYSA-N
XLogP0.17
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116911635
2-amino-3-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 116957451
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116960840
N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960370
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
CID 66091484
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
CID 130649581
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol (CID 116957574) is 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol is CNC(c1ccc(C)o1)C(N)CO.
What is the InChIKey of 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is VRVCWKRAKFRTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-3-4-8(13-6)9(11-2)7(10)5-12/h3-4,7,9,11-12H,5,10H2,1-2H3.
What are the key properties of 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 116957574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).