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

C13H23NO2 — CID 115919434

IUPAC3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)Cc1ccoc1C
InChIInChI=1S/C13H23NO2/c1-5-13(15,6-2)10-14(4)9-12-7-8-16-11(12)3/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyDPXGCFOAKJZPKJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.57
Rot. Bonds6

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

3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol (PubChem CID 115919434) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
PubChem CID115919434
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)Cc1ccoc1C
InChIInChI=1S/C13H23NO2/c1-5-13(15,6-2)10-14(4)9-12-7-8-16-11(12)3/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyDPXGCFOAKJZPKJ-UHFFFAOYSA-N
XLogP2.57
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62260747
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol (CID 115919434) is 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CN(C)Cc1ccoc1C.
What is the InChIKey of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol?
The InChIKey is DPXGCFOAKJZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-13(15,6-2)10-14(4)9-12-7-8-16-11(12)3/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol?
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 115919434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).