N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine

C18H30N2 — CID 43095798

IUPACN',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCCCc2ccccc21
InChIInChI=1S/C18H30N2/c1-3-20(4-2)15-9-14-19-18-13-8-6-11-16-10-5-7-12-17(16)18/h5,7,10,12,18-19H,3-4,6,8-9,11,13-15H2,1-2H3
InChIKeyUZRDAPDGPOFZBL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.78
Rot. Bonds7

About N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine

N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine (PubChem CID 43095798) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
PubChem CID43095798
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCCCc2ccccc21
InChIInChI=1S/C18H30N2/c1-3-20(4-2)15-9-14-19-18-13-8-6-11-16-10-5-7-12-17(16)18/h5,7,10,12,18-19H,3-4,6,8-9,11,13-15H2,1-2H3
InChIKeyUZRDAPDGPOFZBL-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103096640
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
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-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441
N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43207352
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109345

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine (CID 43095798) is N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine is CCN(CC)CCCNC1CCCCc2ccccc21.
What is the InChIKey of N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
The InChIKey is UZRDAPDGPOFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-20(4-2)15-9-14-19-18-13-8-6-11-16-10-5-7-12-17(16)18/h5,7,10,12,18-19H,3-4,6,8-9,11,13-15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine is sourced from PubChem (CID 43095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).