9-cyclopentylcarbazol-3-amine

C17H18N2 — CID 150164396

IUPAC9-cyclopentylcarbazol-3-amine
SMILESNc1ccc2c(c1)c1ccccc1n2C1CCCC1
InChIInChI=1S/C17H18N2/c18-12-9-10-17-15(11-12)14-7-3-4-8-16(14)19(17)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,18H2
InChIKeyFICCBNJSAWBAMF-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.49
Rot. Bonds1

About 9-cyclopentylcarbazol-3-amine

9-cyclopentylcarbazol-3-amine (PubChem CID 150164396) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 9-cyclopentylcarbazol-3-amine.

Molecular Properties

Compound Name9-cyclopentylcarbazol-3-amine
PubChem CID150164396
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name9-cyclopentylcarbazol-3-amine
SMILESNc1ccc2c(c1)c1ccccc1n2C1CCCC1
InChIInChI=1S/C17H18N2/c18-12-9-10-17-15(11-12)14-7-3-4-8-16(14)19(17)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,18H2
InChIKeyFICCBNJSAWBAMF-UHFFFAOYSA-N
XLogP4.49
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentylcarbazol-3-amine?
The IUPAC name of 9-cyclopentylcarbazol-3-amine (CID 150164396) is 9-cyclopentylcarbazol-3-amine.
What is the SMILES notation for 9-cyclopentylcarbazol-3-amine?
The canonical SMILES for 9-cyclopentylcarbazol-3-amine is Nc1ccc2c(c1)c1ccccc1n2C1CCCC1.
What is the InChIKey of 9-cyclopentylcarbazol-3-amine?
The InChIKey is FICCBNJSAWBAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-12-9-10-17-15(11-12)14-7-3-4-8-16(14)19(17)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,18H2.
What are the key properties of 9-cyclopentylcarbazol-3-amine?
9-cyclopentylcarbazol-3-amine has a molecular weight of 250.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentylcarbazol-3-amine is sourced from PubChem (CID 150164396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).