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

C13H21NO2 — CID 78998178

IUPAC3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C13H21NO2/c1-9-7-12(9)13-4-3-11(16-13)8-14-10(2)5-6-15/h3-4,9-10,12,14-15H,5-8H2,1-2H3
InChIKeyWAZRVRHWCYQMBT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds6

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

3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 78998178) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID78998178
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C13H21NO2/c1-9-7-12(9)13-4-3-11(16-13)8-14-10(2)5-6-15/h3-4,9-10,12,14-15H,5-8H2,1-2H3
InChIKeyWAZRVRHWCYQMBT-UHFFFAOYSA-N
XLogP2.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol with MolForge

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
CID 63182317
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
CID 54917626
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81353783
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
CID 60744499

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol (CID 78998178) is 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol is CC(CCO)NCc1ccc(C2CC2C)o1.
What is the InChIKey of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is WAZRVRHWCYQMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-7-12(9)13-4-3-11(16-13)8-14-10(2)5-6-15/h3-4,9-10,12,14-15H,5-8H2,1-2H3.
What are the key properties of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol?
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 78998178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).