5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine

C13H18N2 — CID 155307558

IUPAC5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine
SMILESCC(C)c1cc2c([nH]1)=CC=CC(C)(N)C=2
InChIInChI=1S/C13H18N2/c1-9(2)12-7-10-8-13(3,14)6-4-5-11(10)15-12/h4-9,15H,14H2,1-3H3
InChIKeyYBRLTFQRDQXXHA-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.99
Rot. Bonds1

About 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine

5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine (PubChem CID 155307558) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine
PubChem CID155307558
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine
SMILESCC(C)c1cc2c([nH]1)=CC=CC(C)(N)C=2
InChIInChI=1S/C13H18N2/c1-9(2)12-7-10-8-13(3,14)6-4-5-11(10)15-12/h4-9,15H,14H2,1-3H3
InChIKeyYBRLTFQRDQXXHA-UHFFFAOYSA-N
XLogP0.99
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine (CID 155307558) is 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine is CC(C)c1cc2c([nH]1)=CC=CC(C)(N)C=2.
What is the InChIKey of 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine?
The InChIKey is YBRLTFQRDQXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)12-7-10-8-13(3,14)6-4-5-11(10)15-12/h4-9,15H,14H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine?
5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine has a molecular weight of 202.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine is sourced from PubChem (CID 155307558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).