N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine

C16H22N2 — CID 84741422

IUPACN-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCNC1CCCc2[nH]c3ccc(C(C)C)cc3c21
InChIInChI=1S/C16H22N2/c1-10(2)11-7-8-13-12(9-11)16-14(17-3)5-4-6-15(16)18-13/h7-10,14,17-18H,4-6H2,1-3H3
InChIKeyNKTHECYAEGMBLM-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.89
Rot. Bonds2

About N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine

N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine (PubChem CID 84741422) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine.

Molecular Properties

Compound NameN-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
PubChem CID84741422
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCNC1CCCc2[nH]c3ccc(C(C)C)cc3c21
InChIInChI=1S/C16H22N2/c1-10(2)11-7-8-13-12(9-11)16-14(17-3)5-4-6-15(16)18-13/h7-10,14,17-18H,4-6H2,1-3H3
InChIKeyNKTHECYAEGMBLM-UHFFFAOYSA-N
XLogP3.89
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The IUPAC name of N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine (CID 84741422) is N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine.
What is the SMILES notation for N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The canonical SMILES for N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine is CNC1CCCc2[nH]c3ccc(C(C)C)cc3c21.
What is the InChIKey of N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The InChIKey is NKTHECYAEGMBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10(2)11-7-8-13-12(9-11)16-14(17-3)5-4-6-15(16)18-13/h7-10,14,17-18H,4-6H2,1-3H3.
What are the key properties of N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine has a molecular weight of 242.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine is sourced from PubChem (CID 84741422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).