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

C15H20N2 — CID 10376496

IUPACN-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCNC1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C15H20N2/c1-2-8-16-12-5-3-11-4-6-15-13(7-9-17-15)14(11)10-12/h4,6-7,9,12,16-17H,2-3,5,8,10H2,1H3
InChIKeyHFQNQSPPIPXJLL-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.02
Rot. Bonds3

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

N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10376496) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10376496
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCNC1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C15H20N2/c1-2-8-16-12-5-3-11-4-6-15-13(7-9-17-15)14(11)10-12/h4,6-7,9,12,16-17H,2-3,5,8,10H2,1H3
InChIKeyHFQNQSPPIPXJLL-UHFFFAOYSA-N
XLogP3.02
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
(+)-Lysergic acid diethylamide
CID 5761
Tryptamine
CID 1150
Sumatriptan
CID 5358
N,N-Dimethyltryptamine
CID 6089
Pergolide
CID 47811
Lysergic acid amide
CID 442072
Lisuride
CID 28864
Terguride
CID 443951
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890

Frequently Asked Questions

What is the IUPAC name of N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10376496) is N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCNC1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is HFQNQSPPIPXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-8-16-12-5-3-11-4-6-15-13(7-9-17-15)14(11)10-12/h4,6-7,9,12,16-17H,2-3,5,8,10H2,1H3.
What are the key properties of N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 228.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10376496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).