N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C22H26N2 — CID 10064500

IUPACN-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3
InChIKeyUQIBBMPERXPJEF-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.94
Rot. Bonds5

About N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10064500) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10064500
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3
InChIKeyUQIBBMPERXPJEF-UHFFFAOYSA-N
XLogP4.94
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10064500) is N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is UQIBBMPERXPJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3.
What are the key properties of N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 318.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10064500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).