2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal

C14H23NO2 — CID 62275710

IUPAC2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)Cc1ccoc1C
InChIInChI=1S/C14H23NO2/c1-5-7-14(3,11-16)10-15(4)9-13-6-8-17-12(13)2/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyPAJGGFBCCFSZRK-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.03
Rot. Bonds7

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

2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal (PubChem CID 62275710) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal.

Molecular Properties

Compound Name2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
PubChem CID62275710
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)Cc1ccoc1C
InChIInChI=1S/C14H23NO2/c1-5-7-14(3,11-16)10-15(4)9-13-6-8-17-12(13)2/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyPAJGGFBCCFSZRK-UHFFFAOYSA-N
XLogP3.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
CID 62277579
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62260747
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal?
The IUPAC name of 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal (CID 62275710) is 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal.
What is the SMILES notation for 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal?
The canonical SMILES for 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal is CCCC(C)(C=O)CN(C)Cc1ccoc1C.
What is the InChIKey of 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal?
The InChIKey is PAJGGFBCCFSZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-7-14(3,11-16)10-15(4)9-13-6-8-17-12(13)2/h6,8,11H,5,7,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal?
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal has a molecular weight of 237.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal is sourced from PubChem (CID 62275710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).