1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine

C22H23N3 — CID 174337546

IUPAC1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine
SMILESCc1ccc2[nH]c3c(CCN)cc(NCc4ccccc4)cc3c2c1
InChIInChI=1S/C22H23N3/c1-15-7-8-21-19(11-15)20-13-18(12-17(9-10-23)22(20)25-21)24-14-16-5-3-2-4-6-16/h2-8,11-13,24-25H,9-10,14,23H2,1H3
InChIKeyRWJZBQWKBISVLG-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.74
Rot. Bonds5

About 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine

1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine (PubChem CID 174337546) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine
PubChem CID174337546
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine
SMILESCc1ccc2[nH]c3c(CCN)cc(NCc4ccccc4)cc3c2c1
InChIInChI=1S/C22H23N3/c1-15-7-8-21-19(11-15)20-13-18(12-17(9-10-23)22(20)25-21)24-14-16-5-3-2-4-6-16/h2-8,11-13,24-25H,9-10,14,23H2,1H3
InChIKeyRWJZBQWKBISVLG-UHFFFAOYSA-N
XLogP4.74
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine?
The IUPAC name of 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine (CID 174337546) is 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine is Cc1ccc2[nH]c3c(CCN)cc(NCc4ccccc4)cc3c2c1.
What is the InChIKey of 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine?
The InChIKey is RWJZBQWKBISVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-7-8-21-19(11-15)20-13-18(12-17(9-10-23)22(20)25-21)24-14-16-5-3-2-4-6-16/h2-8,11-13,24-25H,9-10,14,23H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine?
1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine has a molecular weight of 329.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-benzyl-6-methyl-9H-carbazol-3-amine is sourced from PubChem (CID 174337546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).