3-iminododecan-1-ol

C12H25NO — CID 57239624

IUPAC3-iminododecan-1-ol
SMILES[H]/N=C(\CCO)CCCCCCCCC
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-12(13)10-11-14/h13-14H,2-11H2,1H3/b13-12-
InChIKeyWTGOJLZERNJKNJ-SEYXRHQNSA-N
MW199.34 g/mol
LogP3.53
Rot. Bonds10

About 3-iminododecan-1-ol

3-iminododecan-1-ol (PubChem CID 57239624) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-iminododecan-1-ol.

Molecular Properties

Compound Name3-iminododecan-1-ol
PubChem CID57239624
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-iminododecan-1-ol
SMILES[H]/N=C(\CCO)CCCCCCCCC
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-12(13)10-11-14/h13-14H,2-11H2,1H3/b13-12-
InChIKeyWTGOJLZERNJKNJ-SEYXRHQNSA-N
XLogP3.53
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-iminotetradecane-1-thiol
CID 167079244
heptanimidoyl cyanide
CID 155128085
hexadecan-1-ol;pentane
CID 175595419
decane;propan-1-ol
CID 157421705
bis(hexan-1-ol);zirconium;dihydrate
CID 175523338
azane;decan-1-ol;hydrate
CID 174925863
hexan-1-ol;hydrate;hydrochloride
CID 86720799
octan-1-ol;titanium;trihydrate
CID 87862444
2-iminohexadecanal
CID 142761147
3-iminoheptanimidamide
CID 158715697
heptan-2-imine;propane;tungsten
CID 57359574
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of 3-iminododecan-1-ol?
The IUPAC name of 3-iminododecan-1-ol (CID 57239624) is 3-iminododecan-1-ol.
What is the SMILES notation for 3-iminododecan-1-ol?
The canonical SMILES for 3-iminododecan-1-ol is [H]/N=C(\CCO)CCCCCCCCC.
What is the InChIKey of 3-iminododecan-1-ol?
The InChIKey is WTGOJLZERNJKNJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-12(13)10-11-14/h13-14H,2-11H2,1H3/b13-12-.
What are the key properties of 3-iminododecan-1-ol?
3-iminododecan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminododecan-1-ol is sourced from PubChem (CID 57239624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).