N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine

C18H26N2 — CID 20511355

IUPACN,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine
SMILESCCCN(CCC)C1CC2=C(CC=N2)C2=C1CCC=C2
InChIInChI=1S/C18H26N2/c1-3-11-20(12-4-2)18-13-17-15(9-10-19-17)14-7-5-6-8-16(14)18/h5,7,10,18H,3-4,6,8-9,11-13H2,1-2H3
InChIKeyLFSAIBSEOOJZRI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.26
Rot. Bonds5

About N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine

N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine (PubChem CID 20511355) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine
PubChem CID20511355
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine
SMILESCCCN(CCC)C1CC2=C(CC=N2)C2=C1CCC=C2
InChIInChI=1S/C18H26N2/c1-3-11-20(12-4-2)18-13-17-15(9-10-19-17)14-7-5-6-8-16(14)18/h5,7,10,18H,3-4,6,8-9,11-13H2,1-2H3
InChIKeyLFSAIBSEOOJZRI-UHFFFAOYSA-N
XLogP4.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine?
The IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine (CID 20511355) is N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine.
What is the SMILES notation for N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine?
The canonical SMILES for N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine is CCCN(CCC)C1CC2=C(CC=N2)C2=C1CCC=C2.
What is the InChIKey of N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine?
The InChIKey is LFSAIBSEOOJZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-11-20(12-4-2)18-13-17-15(9-10-19-17)14-7-5-6-8-16(14)18/h5,7,10,18H,3-4,6,8-9,11-13H2,1-2H3.
What are the key properties of N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine?
N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine has a molecular weight of 270.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4,5,6,7-tetrahydro-1H-benzo[e]indol-5-amine is sourced from PubChem (CID 20511355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).