N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H28N2O — CID 103096640

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCN(C)CCOCCNC1CCCCc2ccccc21
InChIInChI=1S/C17H28N2O/c1-19(2)12-14-20-13-11-18-17-10-6-4-8-15-7-3-5-9-16(15)17/h3,5,7,9,17-18H,4,6,8,10-14H2,1-2H3
InChIKeyJQBDQBIYYKDJGT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 103096640) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID103096640
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCN(C)CCOCCNC1CCCCc2ccccc21
InChIInChI=1S/C17H28N2O/c1-19(2)12-14-20-13-11-18-17-10-6-4-8-15-7-3-5-9-16(15)17/h3,5,7,9,17-18H,4,6,8,10-14H2,1-2H3
InChIKeyJQBDQBIYYKDJGT-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43102852
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
CID 113262793
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 103096640) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CN(C)CCOCCNC1CCCCc2ccccc21.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is JQBDQBIYYKDJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)12-14-20-13-11-18-17-10-6-4-8-15-7-3-5-9-16(15)17/h3,5,7,9,17-18H,4,6,8,10-14H2,1-2H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 276.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 103096640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).