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

C18H26N2 — CID 13342884

IUPACN,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
SMILESCCCN(CCC)C1CCc2c(ccc3[nH]ccc23)C1
InChIInChI=1S/C18H26N2/c1-3-11-20(12-4-2)15-6-7-16-14(13-15)5-8-18-17(16)9-10-19-18/h5,8-10,15,19H,3-4,6-7,11-13H2,1-2H3
InChIKeyFAEPKWUOGBOKAO-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.15
Rot. Bonds5

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

N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine (PubChem CID 13342884) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine.

Molecular Properties

Compound NameN,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
PubChem CID13342884
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
SMILESCCCN(CCC)C1CCc2c(ccc3[nH]ccc23)C1
InChIInChI=1S/C18H26N2/c1-3-11-20(12-4-2)15-6-7-16-14(13-15)5-8-18-17(16)9-10-19-18/h5,8-10,15,19H,3-4,6-7,11-13H2,1-2H3
InChIKeyFAEPKWUOGBOKAO-UHFFFAOYSA-N
XLogP4.15
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
The IUPAC name of N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine (CID 13342884) is N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine.
What is the SMILES notation for N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
The canonical SMILES for N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine is CCCN(CCC)C1CCc2c(ccc3[nH]ccc23)C1.
What is the InChIKey of N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
The InChIKey is FAEPKWUOGBOKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-11-20(12-4-2)15-6-7-16-14(13-15)5-8-18-17(16)9-10-19-18/h5,8-10,15,19H,3-4,6-7,11-13H2,1-2H3.
What are the key properties of N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine has a molecular weight of 270.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine is sourced from PubChem (CID 13342884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).