N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C20H29N3 — CID 59014607

IUPACN-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCNCc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1
InChIInChI=1S/C20H29N3/c1-21-13-14-10-11-18-17(12-14)16-8-5-9-19(20(16)23-18)22-15-6-3-2-4-7-15/h10-12,15,19,21-23H,2-9,13H2,1H3
InChIKeyLQWYVLKHKAMKPU-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.19
Rot. Bonds4

About N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 59014607) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID59014607
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCNCc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1
InChIInChI=1S/C20H29N3/c1-21-13-14-10-11-18-17(12-14)16-8-5-9-19(20(16)23-18)22-15-6-3-2-4-7-15/h10-12,15,19,21-23H,2-9,13H2,1H3
InChIKeyLQWYVLKHKAMKPU-UHFFFAOYSA-N
XLogP4.19
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 59014607) is N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CNCc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is LQWYVLKHKAMKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-21-13-14-10-11-18-17(12-14)16-8-5-9-19(20(16)23-18)22-15-6-3-2-4-7-15/h10-12,15,19,21-23H,2-9,13H2,1H3.
What are the key properties of N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 59014607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).