1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine

C17H25NO — CID 83175022

IUPAC1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NO/c1-18-16(7-12-2-3-19-11-12)17-8-13-4-14(9-17)6-15(5-13)10-17/h2-3,11,13-16,18H,4-10H2,1H3
InChIKeyMKWNHSMKVJDHIV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.63
Rot. Bonds4

About 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine

1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 83175022) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID83175022
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NO/c1-18-16(7-12-2-3-19-11-12)17-8-13-4-14(9-17)6-15(5-13)10-17/h2-3,11,13-16,18H,4-10H2,1H3
InChIKeyMKWNHSMKVJDHIV-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol
CID 115830404
2-(furan-3-yl)-N-methyl-1-(4-phenyloxan-4-yl)ethanamine
CID 83178198
1-cyclobutyl-2-(furan-3-yl)-N-methylethanamine
CID 83175338
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
CID 64609702
2-(furan-3-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105030244
N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025270
1-(1-adamantyl)-N-methylbut-3-yn-1-amine
CID 62796404
[2-(furan-3-yl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105331813
2-(furan-3-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 83175553
1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62796574

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine (CID 83175022) is 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is MKWNHSMKVJDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18-16(7-12-2-3-19-11-12)17-8-13-4-14(9-17)6-15(5-13)10-17/h2-3,11,13-16,18H,4-10H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine?
1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 83175022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).