N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine

C15H21NO — CID 43537687

IUPACN-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
SMILESCCNC1c2cc3c(cc2OCC1C)CCC3
InChIInChI=1S/C15H21NO/c1-3-16-15-10(2)9-17-14-8-12-6-4-5-11(12)7-13(14)15/h7-8,10,15-16H,3-6,9H2,1-2H3
InChIKeyRSTXBKKGCCASKE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.85
Rot. Bonds2

About N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine

N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine (PubChem CID 43537687) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
PubChem CID43537687
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
SMILESCCNC1c2cc3c(cc2OCC1C)CCC3
InChIInChI=1S/C15H21NO/c1-3-16-15-10(2)9-17-14-8-12-6-4-5-11(12)7-13(14)15/h7-8,10,15-16H,3-6,9H2,1-2H3
InChIKeyRSTXBKKGCCASKE-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine?
The IUPAC name of N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine (CID 43537687) is N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine?
The canonical SMILES for N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine is CCNC1c2cc3c(cc2OCC1C)CCC3.
What is the InChIKey of N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine?
The InChIKey is RSTXBKKGCCASKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-16-15-10(2)9-17-14-8-12-6-4-5-11(12)7-13(14)15/h7-8,10,15-16H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine?
N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine is sourced from PubChem (CID 43537687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).