5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C19H31NO — CID 54036827

IUPAC5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCN(CC)CCCC1(O)CCCC(C)c2ccccc21
InChIInChI=1S/C19H31NO/c1-4-20(5-2)15-9-14-19(21)13-8-10-16(3)17-11-6-7-12-18(17)19/h6-7,11-12,16,21H,4-5,8-10,13-15H2,1-3H3
InChIKeyLJOGDUAJMPVRSE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.28
Rot. Bonds6

About 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 54036827) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID54036827
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCN(CC)CCCC1(O)CCCC(C)c2ccccc21
InChIInChI=1S/C19H31NO/c1-4-20(5-2)15-9-14-19(21)13-8-10-16(3)17-11-6-7-12-18(17)19/h6-7,11-12,16,21H,4-5,8-10,13-15H2,1-3H3
InChIKeyLJOGDUAJMPVRSE-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 54036827) is 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CCN(CC)CCCC1(O)CCCC(C)c2ccccc21.
What is the InChIKey of 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is LJOGDUAJMPVRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20(5-2)15-9-14-19(21)13-8-10-16(3)17-11-6-7-12-18(17)19/h6-7,11-12,16,21H,4-5,8-10,13-15H2,1-3H3.
What are the key properties of 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 289.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 54036827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).