4-[furan-2-ylmethyl(methyl)amino]butan-1-ol

C10H17NO2 — CID 43527145

IUPAC4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
SMILESCN(CCCCO)Cc1ccco1
InChIInChI=1S/C10H17NO2/c1-11(6-2-3-7-12)9-10-5-4-8-13-10/h4-5,8,12H,2-3,6-7,9H2,1H3
InChIKeyLNOHWIHADFRSNX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.48
Rot. Bonds6

About 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol

4-[furan-2-ylmethyl(methyl)amino]butan-1-ol (PubChem CID 43527145) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
PubChem CID43527145
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
SMILESCN(CCCCO)Cc1ccco1
InChIInChI=1S/C10H17NO2/c1-11(6-2-3-7-12)9-10-5-4-8-13-10/h4-5,8,12H,2-3,6-7,9H2,1H3
InChIKeyLNOHWIHADFRSNX-UHFFFAOYSA-N
XLogP1.48
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 113230347
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60694532
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione
CID 38146081
N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 62022579
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol (CID 43527145) is 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol is CN(CCCCO)Cc1ccco1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol?
The InChIKey is LNOHWIHADFRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11(6-2-3-7-12)9-10-5-4-8-13-10/h4-5,8,12H,2-3,6-7,9H2,1H3.
What are the key properties of 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol?
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)amino]butan-1-ol is sourced from PubChem (CID 43527145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).