2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine

C14H19N3O — CID 141006422

IUPAC2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine
SMILESNCCOc1cc2[nH]c3c(c2cc1N)CCCC3
InChIInChI=1S/C14H19N3O/c15-5-6-18-14-8-13-10(7-11(14)16)9-3-1-2-4-12(9)17-13/h7-8,17H,1-6,15-16H2
InChIKeyJKJHBGGVDMKJTM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine

2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine (PubChem CID 141006422) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine.

Molecular Properties

Compound Name2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine
PubChem CID141006422
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine
SMILESNCCOc1cc2[nH]c3c(c2cc1N)CCCC3
InChIInChI=1S/C14H19N3O/c15-5-6-18-14-8-13-10(7-11(14)16)9-3-1-2-4-12(9)17-13/h7-8,17H,1-6,15-16H2
InChIKeyJKJHBGGVDMKJTM-UHFFFAOYSA-N
XLogP1.97
TPSA77.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 14265020
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
CID 107958588
6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 69300451
7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine
CID 82379783
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 7451039
N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 6625882
3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol
CID 169456122
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol
CID 116996604
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
The IUPAC name of 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine (CID 141006422) is 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine.
What is the SMILES notation for 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
The canonical SMILES for 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine is NCCOc1cc2[nH]c3c(c2cc1N)CCCC3.
What is the InChIKey of 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
The InChIKey is JKJHBGGVDMKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-5-6-18-14-8-13-10(7-11(14)16)9-3-1-2-4-12(9)17-13/h7-8,17H,1-6,15-16H2.
What are the key properties of 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine?
2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine is sourced from PubChem (CID 141006422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).