(E)-2-amino-7,9-dimethyldec-4-en-1-ol

C12H25NO — CID 144535628

IUPAC(E)-2-amino-7,9-dimethyldec-4-en-1-ol
SMILESCC(C)CC(C)C/C=C/CC(N)CO
InChIInChI=1S/C12H25NO/c1-10(2)8-11(3)6-4-5-7-12(13)9-14/h4-5,10-12,14H,6-9,13H2,1-3H3/b5-4+
InChIKeyUXXHTWUKEIRUCL-SNAWJCMRSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds7

About (E)-2-amino-7,9-dimethyldec-4-en-1-ol

(E)-2-amino-7,9-dimethyldec-4-en-1-ol (PubChem CID 144535628) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-2-amino-7,9-dimethyldec-4-en-1-ol.

Molecular Properties

Compound Name(E)-2-amino-7,9-dimethyldec-4-en-1-ol
PubChem CID144535628
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-2-amino-7,9-dimethyldec-4-en-1-ol
SMILESCC(C)CC(C)C/C=C/CC(N)CO
InChIInChI=1S/C12H25NO/c1-10(2)8-11(3)6-4-5-7-12(13)9-14/h4-5,10-12,14H,6-9,13H2,1-3H3/b5-4+
InChIKeyUXXHTWUKEIRUCL-SNAWJCMRSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-7,9-dimethyldec-4-en-1-ol?
The IUPAC name of (E)-2-amino-7,9-dimethyldec-4-en-1-ol (CID 144535628) is (E)-2-amino-7,9-dimethyldec-4-en-1-ol.
What is the SMILES notation for (E)-2-amino-7,9-dimethyldec-4-en-1-ol?
The canonical SMILES for (E)-2-amino-7,9-dimethyldec-4-en-1-ol is CC(C)CC(C)C/C=C/CC(N)CO.
What is the InChIKey of (E)-2-amino-7,9-dimethyldec-4-en-1-ol?
The InChIKey is UXXHTWUKEIRUCL-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)8-11(3)6-4-5-7-12(13)9-14/h4-5,10-12,14H,6-9,13H2,1-3H3/b5-4+.
What are the key properties of (E)-2-amino-7,9-dimethyldec-4-en-1-ol?
(E)-2-amino-7,9-dimethyldec-4-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-7,9-dimethyldec-4-en-1-ol is sourced from PubChem (CID 144535628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).