2-methyl-9-(methylamino)dec-9-en-4-ol

C12H25NO — CID 153371001

IUPAC2-methyl-9-(methylamino)dec-9-en-4-ol
SMILESC=C(CCCCC(O)CC(C)C)NC
InChIInChI=1S/C12H25NO/c1-10(2)9-12(14)8-6-5-7-11(3)13-4/h10,12-14H,3,5-9H2,1-2,4H3
InChIKeyRKQDMORSDTWVJY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.69
Rot. Bonds8

About 2-methyl-9-(methylamino)dec-9-en-4-ol

2-methyl-9-(methylamino)dec-9-en-4-ol (PubChem CID 153371001) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-9-(methylamino)dec-9-en-4-ol.

Molecular Properties

Compound Name2-methyl-9-(methylamino)dec-9-en-4-ol
PubChem CID153371001
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-9-(methylamino)dec-9-en-4-ol
SMILESC=C(CCCCC(O)CC(C)C)NC
InChIInChI=1S/C12H25NO/c1-10(2)9-12(14)8-6-5-7-11(3)13-4/h10,12-14H,3,5-9H2,1-2,4H3
InChIKeyRKQDMORSDTWVJY-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(methylamino)dec-9-en-4-ol?
The IUPAC name of 2-methyl-9-(methylamino)dec-9-en-4-ol (CID 153371001) is 2-methyl-9-(methylamino)dec-9-en-4-ol.
What is the SMILES notation for 2-methyl-9-(methylamino)dec-9-en-4-ol?
The canonical SMILES for 2-methyl-9-(methylamino)dec-9-en-4-ol is C=C(CCCCC(O)CC(C)C)NC.
What is the InChIKey of 2-methyl-9-(methylamino)dec-9-en-4-ol?
The InChIKey is RKQDMORSDTWVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-12(14)8-6-5-7-11(3)13-4/h10,12-14H,3,5-9H2,1-2,4H3.
What are the key properties of 2-methyl-9-(methylamino)dec-9-en-4-ol?
2-methyl-9-(methylamino)dec-9-en-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(methylamino)dec-9-en-4-ol is sourced from PubChem (CID 153371001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).