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

C16H22N2 — CID 65332539

IUPAC6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCNC1CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C16H22N2/c1-3-9-17-15-6-4-5-12-13-10-11(2)7-8-14(13)18-16(12)15/h7-8,10,15,17-18H,3-6,9H2,1-2H3
InChIKeyCUCDPMNKELLOQC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.85
Rot. Bonds3

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

6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65332539) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65332539
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCNC1CCCc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C16H22N2/c1-3-9-17-15-6-4-5-12-13-10-11(2)7-8-14(13)18-16(12)15/h7-8,10,15,17-18H,3-6,9H2,1-2H3
InChIKeyCUCDPMNKELLOQC-UHFFFAOYSA-N
XLogP3.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.85
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 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65332539) is 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCCNC1CCCc2c1[nH]c1ccc(C)cc21.
What is the InChIKey of 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is CUCDPMNKELLOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-9-17-15-6-4-5-12-13-10-11(2)7-8-14(13)18-16(12)15/h7-8,10,15,17-18H,3-6,9H2,1-2H3.
What are the key properties of 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65332539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).