1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine

C20H28N2 — CID 83984793

IUPAC1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine
SMILESNC(Cc1c[nH]c2cc3c(cc12)CCCCC3)C1CCCC1
InChIInChI=1S/C20H28N2/c21-19(14-6-4-5-7-14)11-17-13-22-20-12-16-9-3-1-2-8-15(16)10-18(17)20/h10,12-14,19,22H,1-9,11,21H2
InChIKeyNHVPWVCFEAWOHZ-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.50
Rot. Bonds3

About 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine

1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine (PubChem CID 83984793) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine
PubChem CID83984793
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine
SMILESNC(Cc1c[nH]c2cc3c(cc12)CCCCC3)C1CCCC1
InChIInChI=1S/C20H28N2/c21-19(14-6-4-5-7-14)11-17-13-22-20-12-16-9-3-1-2-8-15(16)10-18(17)20/h10,12-14,19,22H,1-9,11,21H2
InChIKeyNHVPWVCFEAWOHZ-UHFFFAOYSA-N
XLogP4.50
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine (CID 83984793) is 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine is NC(Cc1c[nH]c2cc3c(cc12)CCCCC3)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine?
The InChIKey is NHVPWVCFEAWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c21-19(14-6-4-5-7-14)11-17-13-22-20-12-16-9-3-1-2-8-15(16)10-18(17)20/h10,12-14,19,22H,1-9,11,21H2.
What are the key properties of 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine?
1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine has a molecular weight of 296.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine is sourced from PubChem (CID 83984793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).