5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine

C13H17NO — CID 155307548

IUPAC5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine
SMILESCC(C)c1cc2c(o1)=CC=CC(C)(N)C=2
InChIInChI=1S/C13H17NO/c1-9(2)12-7-10-8-13(3,14)6-4-5-11(10)15-12/h4-9H,14H2,1-3H3
InChIKeyMVWLMOMVVFWCQY-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.25
Rot. Bonds1

About 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine

5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine (PubChem CID 155307548) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine
PubChem CID155307548
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine
SMILESCC(C)c1cc2c(o1)=CC=CC(C)(N)C=2
InChIInChI=1S/C13H17NO/c1-9(2)12-7-10-8-13(3,14)6-4-5-11(10)15-12/h4-9H,14H2,1-3H3
InChIKeyMVWLMOMVVFWCQY-UHFFFAOYSA-N
XLogP1.25
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine?
The IUPAC name of 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine (CID 155307548) is 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine.
What is the SMILES notation for 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine?
The canonical SMILES for 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine is CC(C)c1cc2c(o1)=CC=CC(C)(N)C=2.
What is the InChIKey of 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine?
The InChIKey is MVWLMOMVVFWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)12-7-10-8-13(3,14)6-4-5-11(10)15-12/h4-9H,14H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine?
5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine has a molecular weight of 203.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylcyclohepta[b]furan-5-amine is sourced from PubChem (CID 155307548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).