(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol

C14H25NO — CID 5384601

IUPAC(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
SMILESCN(C)[C@@H]1CC/C=C/CC/C=C/CC[C@H]1O
InChIInChI=1S/C14H25NO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14(13)16/h5-8,13-14,16H,3-4,9-12H2,1-2H3/b7-5+,8-6+/t13-,14-/m1/s1
InChIKeyCGDUEFNENCQIKQ-FOXZPDPLSA-N
MW223.36 g/mol
LogP2.74
Rot. Bonds1

About (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol

(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol (PubChem CID 5384601) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
PubChem CID5384601
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
SMILESCN(C)[C@@H]1CC/C=C/CC/C=C/CC[C@H]1O
InChIInChI=1S/C14H25NO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14(13)16/h5-8,13-14,16H,3-4,9-12H2,1-2H3/b7-5+,8-6+/t13-,14-/m1/s1
InChIKeyCGDUEFNENCQIKQ-FOXZPDPLSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 10682466
(2S)-1-[(2S,6R)-6-[(2S)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 162998608
(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044
(E,2S,3R)-2-(dimethylamino)-14-fluorotetradec-6-ene-1,3-diol
CID 59827431
(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol;(1R,4E,8E,12S)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
CID 5384600
9-Azabicyclo[3.3.1]non-6-en-2-ol, 9-methyl-, endo-
CID 564941
2,6-Pyridinediethanol, alpha,alpha'-diethyl-1,2,3,6-tetrahydro-1-methyl-
CID 566033
2,6-Pyridinediethanol, alpha2-ethyl-1,2,3,6-tetrahydro-alpha',1-dimethyl-
CID 566034
(1R,4E,8E,12S)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol
CID 5384602
1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 85231280
(1S,4Z,8S)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 101606919
1-[6-(2-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]butan-2-ol
CID 163087434

Frequently Asked Questions

What is the IUPAC name of (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol?
The IUPAC name of (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol (CID 5384601) is (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol.
What is the SMILES notation for (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol?
The canonical SMILES for (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol is CN(C)[C@@H]1CC/C=C/CC/C=C/CC[C@H]1O.
What is the InChIKey of (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol?
The InChIKey is CGDUEFNENCQIKQ-FOXZPDPLSA-N. The full InChI is InChI=1S/C14H25NO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14(13)16/h5-8,13-14,16H,3-4,9-12H2,1-2H3/b7-5+,8-6+/t13-,14-/m1/s1.
What are the key properties of (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol?
(1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,8E,12R)-12-(dimethylamino)cyclododeca-4,8-dien-1-ol is sourced from PubChem (CID 5384601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).