1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine

C28H33N3 — CID 143037835

IUPAC1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine
SMILESCc1ccc2c(c1)C=C(Nc1ccc3[nH]c4c(c3c1)CCCC4NC1CCCCC1)C2
InChIInChI=1S/C28H33N3/c1-18-10-11-19-15-23(16-20(19)14-18)29-22-12-13-26-25(17-22)24-8-5-9-27(28(24)31-26)30-21-6-3-2-4-7-21/h10-14,16-17,21,27,29-31H,2-9,15H2,1H3
InChIKeyDYKJVQQAUJFWHO-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.79
Rot. Bonds4

About 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine

1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine (PubChem CID 143037835) has the molecular formula C28H33N3 and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine
PubChem CID143037835
Molecular FormulaC28H33N3
Molecular Weight411.59 g/mol
Exact Mass411.27
IUPAC Name1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine
SMILESCc1ccc2c(c1)C=C(Nc1ccc3[nH]c4c(c3c1)CCCC4NC1CCCCC1)C2
InChIInChI=1S/C28H33N3/c1-18-10-11-19-15-23(16-20(19)14-18)29-22-12-13-26-25(17-22)24-8-5-9-27(28(24)31-26)30-21-6-3-2-4-7-21/h10-14,16-17,21,27,29-31H,2-9,15H2,1H3
InChIKeyDYKJVQQAUJFWHO-UHFFFAOYSA-N
XLogP6.79
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine with MolForge

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Related Compounds

(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 59014607
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
CID 59014623
8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 59014682
cyclohexyl-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)azanium
CID 4105832
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-methyl-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;dihydrochloride
CID 158296581
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
N,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84622022
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 59014653
(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2261168
6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157259926

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine?
The IUPAC name of 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine (CID 143037835) is 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine.
What is the SMILES notation for 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine?
The canonical SMILES for 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine is Cc1ccc2c(c1)C=C(Nc1ccc3[nH]c4c(c3c1)CCCC4NC1CCCCC1)C2.
What is the InChIKey of 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine?
The InChIKey is DYKJVQQAUJFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3/c1-18-10-11-19-15-23(16-20(19)14-18)29-22-12-13-26-25(17-22)24-8-5-9-27(28(24)31-26)30-21-6-3-2-4-7-21/h10-14,16-17,21,27,29-31H,2-9,15H2,1H3.
What are the key properties of 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine?
1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine has a molecular weight of 411.59 g/mol, XLogP of 6.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-6-N-(5-methyl-1H-inden-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-1,6-diamine is sourced from PubChem (CID 143037835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).