N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine

C23H24N6 — CID 175455395

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine
SMILESCCn1c2ccccc2c2cc(CNCCCn3cnc4cncnc43)ccc21
InChIInChI=1S/C23H24N6/c1-2-29-21-7-4-3-6-18(21)19-12-17(8-9-22(19)29)13-24-10-5-11-28-16-27-20-14-25-15-26-23(20)28/h3-4,6-9,12,14-16,24H,2,5,10-11,13H2,1H3
InChIKeyCABSXTPMTDAKEK-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.13
Rot. Bonds7

About N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine

N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine (PubChem CID 175455395) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine
PubChem CID175455395
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine
SMILESCCn1c2ccccc2c2cc(CNCCCn3cnc4cncnc43)ccc21
InChIInChI=1S/C23H24N6/c1-2-29-21-7-4-3-6-18(21)19-12-17(8-9-22(19)29)13-24-10-5-11-28-16-27-20-14-25-15-26-23(20)28/h3-4,6-9,12,14-16,24H,2,5,10-11,13H2,1H3
InChIKeyCABSXTPMTDAKEK-UHFFFAOYSA-N
XLogP4.13
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine (CID 175455395) is N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine is CCn1c2ccccc2c2cc(CNCCCn3cnc4cncnc43)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine?
The InChIKey is CABSXTPMTDAKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-2-29-21-7-4-3-6-18(21)19-12-17(8-9-22(19)29)13-24-10-5-11-28-16-27-20-14-25-15-26-23(20)28/h3-4,6-9,12,14-16,24H,2,5,10-11,13H2,1H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine?
N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine has a molecular weight of 384.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine is sourced from PubChem (CID 175455395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).