N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine

C18H28N2 — CID 10107314

IUPACN,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine
SMILESCCCN(CCC)C1CCc2ccc3c(c2C1)NCC3
InChIInChI=1S/C18H28N2/c1-3-11-20(12-4-2)16-8-7-14-5-6-15-9-10-19-18(15)17(14)13-16/h5-6,16,19H,3-4,7-13H2,1-2H3
InChIKeyOTEIKDZGZUYQLL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.63
Rot. Bonds5

About N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine

N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine (PubChem CID 10107314) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine.

Molecular Properties

Compound NameN,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine
PubChem CID10107314
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine
SMILESCCCN(CCC)C1CCc2ccc3c(c2C1)NCC3
InChIInChI=1S/C18H28N2/c1-3-11-20(12-4-2)16-8-7-14-5-6-15-9-10-19-18(15)17(14)13-16/h5-6,16,19H,3-4,7-13H2,1-2H3
InChIKeyOTEIKDZGZUYQLL-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dicarbine
CID 65684
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
3,5-Dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055195
2-(3,5-Dimethylphenyl)isoindoline
CID 613815
Stobadine
CID 108089
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
5,6-Dimethyl-2-phenylisoindoline
CID 2823735
8-Dipropylamino-2,3,6,7,8,9-hexahydro-benzo[g]indole-1-carbaldehyde
CID 9972037
(4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9920815
(3beta)-2,3-Dihydrolysergol
CID 14107782
(3beta,5beta,8beta)-9,10-Didehydro-2,3-dihydro-6-methyl-8-(methylthiomethyl) ergoline
CID 14107790
(3beta,5beta,8beta)-9,10-Didehydro-2,3-dihydro-6-methylergoline-8-acetonitrile
CID 14107793

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine?
The IUPAC name of N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine (CID 10107314) is N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine.
What is the SMILES notation for N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine?
The canonical SMILES for N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine is CCCN(CCC)C1CCc2ccc3c(c2C1)NCC3.
What is the InChIKey of N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine?
The InChIKey is OTEIKDZGZUYQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-11-20(12-4-2)16-8-7-14-5-6-15-9-10-19-18(15)17(14)13-16/h5-6,16,19H,3-4,7-13H2,1-2H3.
What are the key properties of N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine?
N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine has a molecular weight of 272.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2,3,6,7,8,9-hexahydro-1H-benzo[g]indol-8-amine is sourced from PubChem (CID 10107314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).