2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol

C12H21NO2 — CID 114495435

IUPAC2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
SMILESCCC(C)(O)CN(C)Cc1ccoc1C
InChIInChI=1S/C12H21NO2/c1-5-12(3,14)9-13(4)8-11-6-7-15-10(11)2/h6-7,14H,5,8-9H2,1-4H3
InChIKeyMBJCDPFBTMFXEE-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol

2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol (PubChem CID 114495435) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
PubChem CID114495435
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
SMILESCCC(C)(O)CN(C)Cc1ccoc1C
InChIInChI=1S/C12H21NO2/c1-5-12(3,14)9-13(4)8-11-6-7-15-10(11)2/h6-7,14H,5,8-9H2,1-4H3
InChIKeyMBJCDPFBTMFXEE-UHFFFAOYSA-N
XLogP2.18
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62260747
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 113270027
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 79805199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol (CID 114495435) is 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol is CCC(C)(O)CN(C)Cc1ccoc1C.
What is the InChIKey of 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol?
The InChIKey is MBJCDPFBTMFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-12(3,14)9-13(4)8-11-6-7-15-10(11)2/h6-7,14H,5,8-9H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol?
2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 114495435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).