2-methyl-10-(methylamino)undec-10-en-5-ol

C13H27NO — CID 153371067

IUPAC2-methyl-10-(methylamino)undec-10-en-5-ol
SMILESC=C(CCCCC(O)CCC(C)C)NC
InChIInChI=1S/C13H27NO/c1-11(2)9-10-13(15)8-6-5-7-12(3)14-4/h11,13-15H,3,5-10H2,1-2,4H3
InChIKeyOQUOTRLCSHZQPK-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.08
Rot. Bonds9

About 2-methyl-10-(methylamino)undec-10-en-5-ol

2-methyl-10-(methylamino)undec-10-en-5-ol (PubChem CID 153371067) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-10-(methylamino)undec-10-en-5-ol.

Molecular Properties

Compound Name2-methyl-10-(methylamino)undec-10-en-5-ol
PubChem CID153371067
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-10-(methylamino)undec-10-en-5-ol
SMILESC=C(CCCCC(O)CCC(C)C)NC
InChIInChI=1S/C13H27NO/c1-11(2)9-10-13(15)8-6-5-7-12(3)14-4/h11,13-15H,3,5-10H2,1-2,4H3
InChIKeyOQUOTRLCSHZQPK-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.08
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-10-(methylamino)undec-10-en-5-ol?
The IUPAC name of 2-methyl-10-(methylamino)undec-10-en-5-ol (CID 153371067) is 2-methyl-10-(methylamino)undec-10-en-5-ol.
What is the SMILES notation for 2-methyl-10-(methylamino)undec-10-en-5-ol?
The canonical SMILES for 2-methyl-10-(methylamino)undec-10-en-5-ol is C=C(CCCCC(O)CCC(C)C)NC.
What is the InChIKey of 2-methyl-10-(methylamino)undec-10-en-5-ol?
The InChIKey is OQUOTRLCSHZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-10-13(15)8-6-5-7-12(3)14-4/h11,13-15H,3,5-10H2,1-2,4H3.
What are the key properties of 2-methyl-10-(methylamino)undec-10-en-5-ol?
2-methyl-10-(methylamino)undec-10-en-5-ol has a molecular weight of 213.36 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-(methylamino)undec-10-en-5-ol is sourced from PubChem (CID 153371067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).