3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol

C14H23NO2 — CID 115655991

IUPAC3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC1CC1c1ccc(CNC(C)(C)CCO)o1
InChIInChI=1S/C14H23NO2/c1-10-8-12(10)13-5-4-11(17-13)9-15-14(2,3)6-7-16/h4-5,10,12,15-16H,6-9H2,1-3H3
InChIKeyCETYHRNZDMHHKT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.65
Rot. Bonds6

About 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol

3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 115655991) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID115655991
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC1CC1c1ccc(CNC(C)(C)CCO)o1
InChIInChI=1S/C14H23NO2/c1-10-8-12(10)13-5-4-11(17-13)9-15-14(2,3)6-7-16/h4-5,10,12,15-16H,6-9H2,1-3H3
InChIKeyCETYHRNZDMHHKT-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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol (CID 115655991) is 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol is CC1CC1c1ccc(CNC(C)(C)CCO)o1.
What is the InChIKey of 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is CETYHRNZDMHHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-8-12(10)13-5-4-11(17-13)9-15-14(2,3)6-7-16/h4-5,10,12,15-16H,6-9H2,1-3H3.
What are the key properties of 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-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 3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 115655991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).