3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

C16H22N2 — CID 82497336

IUPAC3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESCc1ccc2c3c(n(CCCN)c2c1)CCCC3
InChIInChI=1S/C16H22N2/c1-12-7-8-14-13-5-2-3-6-15(13)18(10-4-9-17)16(14)11-12/h7-8,11H,2-6,9-10,17H2,1H3
InChIKeyCDQLATBAKAOHMI-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.18
Rot. Bonds3

About 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (PubChem CID 82497336) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
PubChem CID82497336
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESCc1ccc2c3c(n(CCCN)c2c1)CCCC3
InChIInChI=1S/C16H22N2/c1-12-7-8-14-13-5-2-3-6-15(13)18(10-4-9-17)16(14)11-12/h7-8,11H,2-6,9-10,17H2,1H3
InChIKeyCDQLATBAKAOHMI-UHFFFAOYSA-N
XLogP3.18
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The IUPAC name of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (CID 82497336) is 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.
What is the SMILES notation for 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The canonical SMILES for 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is Cc1ccc2c3c(n(CCCN)c2c1)CCCC3.
What is the InChIKey of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The InChIKey is CDQLATBAKAOHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-7-8-14-13-5-2-3-6-15(13)18(10-4-9-17)16(14)11-12/h7-8,11H,2-6,9-10,17H2,1H3.
What are the key properties of 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is sourced from PubChem (CID 82497336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).