3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine

C17H19IN2 — CID 70900489

IUPAC3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine
SMILESCNCCCn1c2ccc(C)cc2c2cc(I)ccc21
InChIInChI=1S/C17H19IN2/c1-12-4-6-16-14(10-12)15-11-13(18)5-7-17(15)20(16)9-3-8-19-2/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyJENZTDPCMIBMLY-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.32
Rot. Bonds4

About 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine

3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine (PubChem CID 70900489) has the molecular formula C17H19IN2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine
PubChem CID70900489
Molecular FormulaC17H19IN2
Molecular Weight378.26 g/mol
Exact Mass378.06
IUPAC Name3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine
SMILESCNCCCn1c2ccc(C)cc2c2cc(I)ccc21
InChIInChI=1S/C17H19IN2/c1-12-4-6-16-14(10-12)15-11-13(18)5-7-17(15)20(16)9-3-8-19-2/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyJENZTDPCMIBMLY-UHFFFAOYSA-N
XLogP4.32
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine (CID 70900489) is 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine is CNCCCn1c2ccc(C)cc2c2cc(I)ccc21.
What is the InChIKey of 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine?
The InChIKey is JENZTDPCMIBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2/c1-12-4-6-16-14(10-12)15-11-13(18)5-7-17(15)20(16)9-3-8-19-2/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine?
3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine has a molecular weight of 378.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 70900489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).