N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

C18H30N2O — CID 63682543

IUPACN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN(C)CC2CC3CCC2C3)c1
InChIInChI=1S/C18H30N2O/c1-3-6-19-10-15-9-18(21-13-15)12-20(2)11-17-8-14-4-5-16(17)7-14/h9,13-14,16-17,19H,3-8,10-12H2,1-2H3
InChIKeyACENDPBFGGZOGF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.65
Rot. Bonds8

About N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 63682543) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID63682543
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN(C)CC2CC3CCC2C3)c1
InChIInChI=1S/C18H30N2O/c1-3-6-19-10-15-9-18(21-13-15)12-20(2)11-17-8-14-4-5-16(17)7-14/h9,13-14,16-17,19H,3-8,10-12H2,1-2H3
InChIKeyACENDPBFGGZOGF-UHFFFAOYSA-N
XLogP3.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N-(3-methylbutyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 78990027
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63683904
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63681873
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 63682543) is N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(CN(C)CC2CC3CCC2C3)c1.
What is the InChIKey of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is ACENDPBFGGZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-6-19-10-15-9-18(21-13-15)12-20(2)11-17-8-14-4-5-16(17)7-14/h9,13-14,16-17,19H,3-8,10-12H2,1-2H3.
What are the key properties of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63682543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).