2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine

C17H25NO — CID 67118850

IUPAC2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine
SMILESNCC(Cc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NO/c18-11-15(7-16-2-1-3-19-16)17-8-12-4-13(9-17)6-14(5-12)10-17/h1-3,12-15H,4-11,18H2
InChIKeyJLAFJFDZWUUALA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds4

About 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine

2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 67118850) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine
PubChem CID67118850
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine
SMILESNCC(Cc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NO/c18-11-15(7-16-2-1-3-19-16)17-8-12-4-13(9-17)6-14(5-12)10-17/h1-3,12-15H,4-11,18H2
InChIKeyJLAFJFDZWUUALA-UHFFFAOYSA-N
XLogP3.61
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
CID 64609702
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
CID 83138308
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62998871
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81391467
2-(furan-2-yl)-1-(1-methylcyclopropyl)ethanamine
CID 83182565
N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
CID 117246184
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389
1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 4074413
furan-2-ylmethanamine;methane
CID 20976999
1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
CID 105177457

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine (CID 67118850) is 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine is NCC(Cc1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is JLAFJFDZWUUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-11-15(7-16-2-1-3-19-16)17-8-12-4-13(9-17)6-14(5-12)10-17/h1-3,12-15H,4-11,18H2.
What are the key properties of 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine?
2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 67118850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).