1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine

C15H18N2 — CID 117325794

IUPAC1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
SMILESNC1(c2ccc3[nH]c4c(c3c2)CCC4)CCC1
InChIInChI=1S/C15H18N2/c16-15(7-2-8-15)10-5-6-14-12(9-10)11-3-1-4-13(11)17-14/h5-6,9,17H,1-4,7-8,16H2
InChIKeyLVTVISIMEKFVAI-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.99
Rot. Bonds1

About 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine

1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine (PubChem CID 117325794) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
PubChem CID117325794
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
SMILESNC1(c2ccc3[nH]c4c(c3c2)CCC4)CCC1
InChIInChI=1S/C15H18N2/c16-15(7-2-8-15)10-5-6-14-12(9-10)11-3-1-4-13(11)17-14/h5-6,9,17H,1-4,7-8,16H2
InChIKeyLVTVISIMEKFVAI-UHFFFAOYSA-N
XLogP2.99
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine?
The IUPAC name of 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine (CID 117325794) is 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine is NC1(c2ccc3[nH]c4c(c3c2)CCC4)CCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine?
The InChIKey is LVTVISIMEKFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-15(7-2-8-15)10-5-6-14-12(9-10)11-3-1-4-13(11)17-14/h5-6,9,17H,1-4,7-8,16H2.
What are the key properties of 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine?
1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine is sourced from PubChem (CID 117325794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).