N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine

C20H25NO — CID 118215691

IUPACN-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine
SMILESC1=CCC(c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)=C1
InChIInChI=1S/C20H25NO/c1-2-4-17(3-1)19-6-5-18(22-19)13-21-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-3,5-6,14-16,21H,4,7-13H2
InChIKeyUQEUSDJWQLQFNY-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.68
Rot. Bonds4

About N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine

N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine (PubChem CID 118215691) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine
PubChem CID118215691
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine
SMILESC1=CCC(c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)=C1
InChIInChI=1S/C20H25NO/c1-2-4-17(3-1)19-6-5-18(22-19)13-21-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-3,5-6,14-16,21H,4,7-13H2
InChIKeyUQEUSDJWQLQFNY-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine (CID 118215691) is N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine is C1=CCC(c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)=C1.
What is the InChIKey of N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine?
The InChIKey is UQEUSDJWQLQFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-4-17(3-1)19-6-5-18(22-19)13-21-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-3,5-6,14-16,21H,4,7-13H2.
What are the key properties of N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine?
N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 118215691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).