N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine

C13H17N3 — CID 23423812

IUPACN,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine
SMILESCN(C)c1nc2c3c(ccc2[nH]1)CCCC3
InChIInChI=1S/C13H17N3/c1-16(2)13-14-11-8-7-9-5-3-4-6-10(9)12(11)15-13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAQPDKZAUQAXPDE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.51
Rot. Bonds1

About N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine

N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine (PubChem CID 23423812) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine
PubChem CID23423812
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine
SMILESCN(C)c1nc2c3c(ccc2[nH]1)CCCC3
InChIInChI=1S/C13H17N3/c1-16(2)13-14-11-8-7-9-5-3-4-6-10(9)12(11)15-13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAQPDKZAUQAXPDE-UHFFFAOYSA-N
XLogP2.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 89393478
2-phenyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole
CID 15232193
3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 19688753
2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 157304074
2-[2-[2-(6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxylic acid
CID 175504758
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
2-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine
CID 62201499
3,6,7,8-tetrahydrocyclopenta[e]indazole
CID 59145851
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 166083878
1-(2-ditert-butylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 102304448
2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623300

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine?
The IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine (CID 23423812) is N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine.
What is the SMILES notation for N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine?
The canonical SMILES for N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine is CN(C)c1nc2c3c(ccc2[nH]1)CCCC3.
What is the InChIKey of N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine?
The InChIKey is AQPDKZAUQAXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(2)13-14-11-8-7-9-5-3-4-6-10(9)12(11)15-13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine?
N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-amine is sourced from PubChem (CID 23423812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).