N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H25NO — CID 64724815

IUPACN-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC1CC(C)CC(NC2CCCc3occc32)C1
InChIInChI=1S/C16H25NO/c1-11-8-12(2)10-13(9-11)17-15-4-3-5-16-14(15)6-7-18-16/h6-7,11-13,15,17H,3-5,8-10H2,1-2H3
InChIKeyWUXBDIXYYMGDGZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.07
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 64724815) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID64724815
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC1CC(C)CC(NC2CCCc3occc32)C1
InChIInChI=1S/C16H25NO/c1-11-8-12(2)10-13(9-11)17-15-4-3-5-16-14(15)6-7-18-16/h6-7,11-13,15,17H,3-5,8-10H2,1-2H3
InChIKeyWUXBDIXYYMGDGZ-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 64724815) is N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC1CC(C)CC(NC2CCCc3occc32)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is WUXBDIXYYMGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-12(2)10-13(9-11)17-15-4-3-5-16-14(15)6-7-18-16/h6-7,11-13,15,17H,3-5,8-10H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 247.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 64724815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).