3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol

C20H25NO — CID 10085884

IUPAC3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol
SMILESCN(C)CC1c2ccccc2CCc2ccccc2C1(C)O
InChIInChI=1S/C20H25NO/c1-20(22)18-11-7-5-9-16(18)13-12-15-8-4-6-10-17(15)19(20)14-21(2)3/h4-11,19,22H,12-14H2,1-3H3
InChIKeyBKDJCCGJQAHVKV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.34
Rot. Bonds2

About 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol

3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol (PubChem CID 10085884) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol
PubChem CID10085884
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol
SMILESCN(C)CC1c2ccccc2CCc2ccccc2C1(C)O
InChIInChI=1S/C20H25NO/c1-20(22)18-11-7-5-9-16(18)13-12-15-8-4-6-10-17(15)19(20)14-21(2)3/h4-11,19,22H,12-14H2,1-3H3
InChIKeyBKDJCCGJQAHVKV-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol with MolForge

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Related Compounds

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CID 70291111
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CID 92983298
9-[3-(dimethylamino)propyl]-1,2,3,4,9,10-hexahydroanthracene-2,3,4a,9a-tetrol
CID 12805664
(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
CID 100995671
1-hydroperoxy-1,2-dimethyl-3,4-dihydroisoquinoline
CID 142046783
N'-methyl-N'-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethane-1,2-diamine
CID 23791959
[(S)-[(1S,2R)-1-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium
CID 100919745
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
CID 11725292
5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 24834898
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
CID 63772638
1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2,3-dihydroinden-1-ol
CID 57183104
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol (CID 10085884) is 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol is CN(C)CC1c2ccccc2CCc2ccccc2C1(C)O.
What is the InChIKey of 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol?
The InChIKey is BKDJCCGJQAHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(22)18-11-7-5-9-16(18)13-12-15-8-4-6-10-17(15)19(20)14-21(2)3/h4-11,19,22H,12-14H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol?
3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol has a molecular weight of 295.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-ol is sourced from PubChem (CID 10085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).