3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol

C12H21NO2 — CID 111466539

IUPAC3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1occc1C
InChIInChI=1S/C12H21NO2/c1-4-12(14,5-2)9-13-8-11-10(3)6-7-15-11/h6-7,13-14H,4-5,8-9H2,1-3H3
InChIKeyMWNJCHLEBKSBPY-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.23
Rot. Bonds6

About 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol

3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol (PubChem CID 111466539) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
PubChem CID111466539
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1occc1C
InChIInChI=1S/C12H21NO2/c1-4-12(14,5-2)9-13-8-11-10(3)6-7-15-11/h6-7,13-14H,4-5,8-9H2,1-3H3
InChIKeyMWNJCHLEBKSBPY-UHFFFAOYSA-N
XLogP2.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
CID 115751882
methyl 2,2-dimethyl-3-[(3-methylfuran-2-yl)methylamino]propanoate
CID 75501532
2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
CID 115683798
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
1-(2-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651180
5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
CID 115653275
2-ethyl-3-methylfuran;methane
CID 160795170
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
1-(1-ethylpiperidin-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243107

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol (CID 111466539) is 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1occc1C.
What is the InChIKey of 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is MWNJCHLEBKSBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-12(14,5-2)9-13-8-11-10(3)6-7-15-11/h6-7,13-14H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol?
3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 211.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 111466539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).