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

C15H33NO — CID 153371066

IUPACethane;2-methyl-10-(methylamino)undec-10-en-5-ol
SMILESC=C(CCCCC(O)CCC(C)C)NC.CC
InChIInChI=1S/C13H27NO.C2H6/c1-11(2)9-10-13(15)8-6-5-7-12(3)14-4;1-2/h11,13-15H,3,5-10H2,1-2,4H3;1-2H3
InChIKeyMKGFRDMICGXYQQ-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.10
Rot. Bonds9

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

ethane;2-methyl-10-(methylamino)undec-10-en-5-ol (PubChem CID 153371066) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is ethane;2-methyl-10-(methylamino)undec-10-en-5-ol.

Molecular Properties

Compound Nameethane;2-methyl-10-(methylamino)undec-10-en-5-ol
PubChem CID153371066
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Nameethane;2-methyl-10-(methylamino)undec-10-en-5-ol
SMILESC=C(CCCCC(O)CCC(C)C)NC.CC
InChIInChI=1S/C13H27NO.C2H6/c1-11(2)9-10-13(15)8-6-5-7-12(3)14-4;1-2/h11,13-15H,3,5-10H2,1-2,4H3;1-2H3
InChIKeyMKGFRDMICGXYQQ-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.10
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 ethane;2-methyl-10-(methylamino)undec-10-en-5-ol?
The IUPAC name of ethane;2-methyl-10-(methylamino)undec-10-en-5-ol (CID 153371066) is ethane;2-methyl-10-(methylamino)undec-10-en-5-ol.
What is the SMILES notation for ethane;2-methyl-10-(methylamino)undec-10-en-5-ol?
The canonical SMILES for ethane;2-methyl-10-(methylamino)undec-10-en-5-ol is C=C(CCCCC(O)CCC(C)C)NC.CC.
What is the InChIKey of ethane;2-methyl-10-(methylamino)undec-10-en-5-ol?
The InChIKey is MKGFRDMICGXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C2H6/c1-11(2)9-10-13(15)8-6-5-7-12(3)14-4;1-2/h11,13-15H,3,5-10H2,1-2,4H3;1-2H3.
What are the key properties of ethane;2-methyl-10-(methylamino)undec-10-en-5-ol?
ethane;2-methyl-10-(methylamino)undec-10-en-5-ol has a molecular weight of 243.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-10-(methylamino)undec-10-en-5-ol is sourced from PubChem (CID 153371066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).