ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

C17H26N2 — CID 142194424

IUPACethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCC.CCC1c2cccc3[nH]cc(c23)CC1N(C)C
InChIInChI=1S/C15H20N2.C2H6/c1-4-11-12-6-5-7-13-15(12)10(9-16-13)8-14(11)17(2)3;1-2/h5-7,9,11,14,16H,4,8H2,1-3H3;1-2H3
InChIKeyLBOPKFOYWCOXBG-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.17
Rot. Bonds2

About ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (PubChem CID 142194424) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.

Molecular Properties

Compound Nameethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
PubChem CID142194424
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Nameethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCC.CCC1c2cccc3[nH]cc(c23)CC1N(C)C
InChIInChI=1S/C15H20N2.C2H6/c1-4-11-12-6-5-7-13-15(12)10(9-16-13)8-14(11)17(2)3;1-2/h5-7,9,11,14,16H,4,8H2,1-3H3;1-2H3
InChIKeyLBOPKFOYWCOXBG-UHFFFAOYSA-N
XLogP4.17
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-5-butyl-4-ethyl-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016251
(4R)-4-ethyl-5-(2-methylbutyl)-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016242
ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine
CID 142194391
(4R)-5-[(2S)-2-ethylbut-3-enyl]-4-propyl-1,3,4,5-tetrahydrobenzo[cd]indole
CID 89200286
(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol
CID 131862945
(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
CID 124707804
(4Z)-4-(aminomethylidene)-1-ethyl-N,N,5-trimethyl-2,3-dihydro-1H-naphthalen-2-amine
CID 142194449
(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 102268620
N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
CID 163192742
(2R,7S)-2,7-dimethyl-6-propyl-6,11-diazatricyclo[7.6.1.012,16]hexadeca-1(16),9,12,14-tetraene
CID 71016257
1-(4-methoxyphenyl)-2-[(4R,5R)-4-nitro-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]ethanone
CID 132599379
3-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 57130390

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The IUPAC name of ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (CID 142194424) is ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.
What is the SMILES notation for ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The canonical SMILES for ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is CC.CCC1c2cccc3[nH]cc(c23)CC1N(C)C.
What is the InChIKey of ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The InChIKey is LBOPKFOYWCOXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C2H6/c1-4-11-12-6-5-7-13-15(12)10(9-16-13)8-14(11)17(2)3;1-2/h5-7,9,11,14,16H,4,8H2,1-3H3;1-2H3.
What are the key properties of ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine has a molecular weight of 258.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is sourced from PubChem (CID 142194424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).