1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine

C18H27NOS — CID 64609702

IUPAC1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
SMILESCNC(CSCc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NOS/c1-19-17(12-21-11-16-3-2-4-20-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15,17,19H,5-12H2,1H3
InChIKeyGSTFYSUGFZYEGC-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.32
Rot. Bonds6

About 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine

1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine (PubChem CID 64609702) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
PubChem CID64609702
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
SMILESCNC(CSCc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NOS/c1-19-17(12-21-11-16-3-2-4-20-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15,17,19H,5-12H2,1H3
InChIKeyGSTFYSUGFZYEGC-UHFFFAOYSA-N
XLogP4.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 4074413
2-(1-adamantyl)-3-(furan-2-yl)propan-1-amine
CID 67118850
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
CID 64609482
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81391467
2-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]furan
CID 65016482
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524245
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine (CID 64609702) is 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine is CNC(CSCc1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine?
The InChIKey is GSTFYSUGFZYEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-19-17(12-21-11-16-3-2-4-20-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15,17,19H,5-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine?
1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine has a molecular weight of 305.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 64609702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).