N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline

C18H26N2O — CID 62463396

IUPACN,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1coc(CN(C)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H26N2O/c1-5-6-19-11-16-10-18(21-13-16)12-20(4)17-8-14(2)7-15(3)9-17/h7-10,13,19H,5-6,11-12H2,1-4H3
InChIKeyKKLZTYOAHTWONT-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.03
Rot. Bonds7

About N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline

N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62463396) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62463396
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1coc(CN(C)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H26N2O/c1-5-6-19-11-16-10-18(21-13-16)12-20(4)17-8-14(2)7-15(3)9-17/h7-10,13,19H,5-6,11-12H2,1-4H3
InChIKeyKKLZTYOAHTWONT-UHFFFAOYSA-N
XLogP4.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.03
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

4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682543

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline (CID 62463396) is N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline is CCCNCc1coc(CN(C)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is KKLZTYOAHTWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-6-19-11-16-10-18(21-13-16)12-20(4)17-8-14(2)7-15(3)9-17/h7-10,13,19H,5-6,11-12H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline?
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).