2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol

C10H17NO2 — CID 65188324

IUPAC2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol
SMILESCCC(CN)C(O)c1occc1C
InChIInChI=1S/C10H17NO2/c1-3-8(6-11)9(12)10-7(2)4-5-13-10/h4-5,8-9,12H,3,6,11H2,1-2H3
InChIKeyYQBQYNMCXQBUKG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.61
Rot. Bonds4

About 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol

2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol (PubChem CID 65188324) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol
PubChem CID65188324
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol
SMILESCCC(CN)C(O)c1occc1C
InChIInChI=1S/C10H17NO2/c1-3-8(6-11)9(12)10-7(2)4-5-13-10/h4-5,8-9,12H,3,6,11H2,1-2H3
InChIKeyYQBQYNMCXQBUKG-UHFFFAOYSA-N
XLogP1.61
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol (CID 65188324) is 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol is CCC(CN)C(O)c1occc1C.
What is the InChIKey of 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol?
The InChIKey is YQBQYNMCXQBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(6-11)9(12)10-7(2)4-5-13-10/h4-5,8-9,12H,3,6,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol?
2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-methylfuran-2-yl)butan-1-ol is sourced from PubChem (CID 65188324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).