2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol

C14H23NO2 — CID 63932456

IUPAC2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol
SMILESCCC(C)(O)CNCc1ccc(C2CC2C)o1
InChIInChI=1S/C14H23NO2/c1-4-14(3,16)9-15-8-11-5-6-13(17-11)12-7-10(12)2/h5-6,10,12,15-16H,4,7-9H2,1-3H3
InChIKeyZHWJINMYYTZPEX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.65
Rot. Bonds6

About 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol

2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol (PubChem CID 63932456) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol
PubChem CID63932456
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol
SMILESCCC(C)(O)CNCc1ccc(C2CC2C)o1
InChIInChI=1S/C14H23NO2/c1-4-14(3,16)9-15-8-11-5-6-13(17-11)12-7-10(12)2/h5-6,10,12,15-16H,4,7-9H2,1-3H3
InChIKeyZHWJINMYYTZPEX-UHFFFAOYSA-N
XLogP2.65
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol with MolForge

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Related Compounds

2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid
CID 122129140
4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 104625246
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
CID 112731385
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 115655991
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanenitrile
CID 43183176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol (CID 63932456) is 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol is CCC(C)(O)CNCc1ccc(C2CC2C)o1.
What is the InChIKey of 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol?
The InChIKey is ZHWJINMYYTZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(3,16)9-15-8-11-5-6-13(17-11)12-7-10(12)2/h5-6,10,12,15-16H,4,7-9H2,1-3H3.
What are the key properties of 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol?
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol is sourced from PubChem (CID 63932456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).