cyclodecapentaenyl(methylamino)methanol

C12H15NO — CID 129203731

IUPACcyclodecapentaenyl(methylamino)methanol
SMILESCNC(O)c1ccccccccc1
InChIInChI=1S/C12H15NO/c1-13-12(14)11-9-7-5-3-2-4-6-8-10-11/h2-10,12-14H,1H3/b3-2-,4-2-,5-3-,6-4+,7-5+,8-6+,9-7+,10-8-,11-9+,11-10+
InChIKeyWZNFAPQNVUUCLN-WHPVTRNFSA-N
MW189.26 g/mol
LogP2.02
Rot. Bonds2

About cyclodecapentaenyl(methylamino)methanol

cyclodecapentaenyl(methylamino)methanol (PubChem CID 129203731) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is cyclodecapentaenyl(methylamino)methanol.

Molecular Properties

Compound Namecyclodecapentaenyl(methylamino)methanol
PubChem CID129203731
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namecyclodecapentaenyl(methylamino)methanol
SMILESCNC(O)c1ccccccccc1
InChIInChI=1S/C12H15NO/c1-13-12(14)11-9-7-5-3-2-4-6-8-10-11/h2-10,12-14H,1H3/b3-2-,4-2-,5-3-,6-4+,7-5+,8-6+,9-7+,10-8-,11-9+,11-10+
InChIKeyWZNFAPQNVUUCLN-WHPVTRNFSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methylamino-(4-propan-2-ylphenyl)methanol
CID 116954610
3-[hydroxy(methylamino)methyl]phenol
CID 14302211
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(tert-butylamino)-phenylmethanol;ethane
CID 143300021
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol
CID 130456832
(1S)-1-phenylethanol
CID 157125626

Frequently Asked Questions

What is the IUPAC name of cyclodecapentaenyl(methylamino)methanol?
The IUPAC name of cyclodecapentaenyl(methylamino)methanol (CID 129203731) is cyclodecapentaenyl(methylamino)methanol.
What is the SMILES notation for cyclodecapentaenyl(methylamino)methanol?
The canonical SMILES for cyclodecapentaenyl(methylamino)methanol is CNC(O)c1ccccccccc1.
What is the InChIKey of cyclodecapentaenyl(methylamino)methanol?
The InChIKey is WZNFAPQNVUUCLN-WHPVTRNFSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-12(14)11-9-7-5-3-2-4-6-8-10-11/h2-10,12-14H,1H3/b3-2-,4-2-,5-3-,6-4+,7-5+,8-6+,9-7+,10-8-,11-9+,11-10+.
What are the key properties of cyclodecapentaenyl(methylamino)methanol?
cyclodecapentaenyl(methylamino)methanol has a molecular weight of 189.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecapentaenyl(methylamino)methanol is sourced from PubChem (CID 129203731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).