5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol

C18H29NO — CID 24834898

IUPAC5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
SMILESCN(C)CCCC1(O)c2ccccc2CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-17(2)12-7-10-15-9-5-6-11-16(15)18(17,20)13-8-14-19(3)4/h5-6,9,11,20H,7-8,10,12-14H2,1-4H3
InChIKeyIWEBEEYGJXWXEY-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds4

About 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol

5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol (PubChem CID 24834898) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
PubChem CID24834898
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
SMILESCN(C)CCCC1(O)c2ccccc2CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-17(2)12-7-10-15-9-5-6-11-16(15)18(17,20)13-8-14-19(3)4/h5-6,9,11,20H,7-8,10,12-14H2,1-4H3
InChIKeyIWEBEEYGJXWXEY-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol
CID 54569123
(5R,6S)-5-[3-(dimethylamino)propyl]-6-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 66934090
(5S,6R)-5-[3-(dimethylamino)propyl]-6-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol;oxalic acid
CID 44511682
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173
(5R,6S)-5-[3-(dimethylamino)propyl]-6-(6-methyl-3-pyridinyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 66934170
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
(5S,6R)-5-[3-(dimethylamino)propyl]-6-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 44511619
N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861
2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
CID 142113085
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol
CID 24977688

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
The IUPAC name of 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol (CID 24834898) is 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol is CN(C)CCCC1(O)c2ccccc2CCCC1(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
The InChIKey is IWEBEEYGJXWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)12-7-10-15-9-5-6-11-16(15)18(17,20)13-8-14-19(3)4/h5-6,9,11,20H,7-8,10,12-14H2,1-4H3.
What are the key properties of 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol has a molecular weight of 275.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol is sourced from PubChem (CID 24834898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).