N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

C17H27NO — CID 63503991

IUPACN-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1CC2CCC1C2
InChIInChI=1S/C17H27NO/c1-4-7-18-17(15-8-11(2)19-12(15)3)16-10-13-5-6-14(16)9-13/h8,13-14,16-18H,4-7,9-10H2,1-3H3
InChIKeyRARFBRGLHQKEGH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.37
Rot. Bonds5

About N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 63503991) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID63503991
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1CC2CCC1C2
InChIInChI=1S/C17H27NO/c1-4-7-18-17(15-8-11(2)19-12(15)3)16-10-13-5-6-14(16)9-13/h8,13-14,16-18H,4-7,9-10H2,1-3H3
InChIKeyRARFBRGLHQKEGH-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 104988757
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63021630
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156694
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 102828861
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 105012922
N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406929
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (CID 63503991) is N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)oc1C)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is RARFBRGLHQKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-7-18-17(15-8-11(2)19-12(15)3)16-10-13-5-6-14(16)9-13/h8,13-14,16-18H,4-7,9-10H2,1-3H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63503991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).