5-[methyl(2-methylidenebutyl)amino]pentan-1-ol

C11H23NO — CID 107204054

IUPAC5-[methyl(2-methylidenebutyl)amino]pentan-1-ol
SMILESC=C(CC)CN(C)CCCCCO
InChIInChI=1S/C11H23NO/c1-4-11(2)10-12(3)8-6-5-7-9-13/h13H,2,4-10H2,1,3H3
InChIKeyOBMFPYFRNFNBHO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds8

About 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol

5-[methyl(2-methylidenebutyl)amino]pentan-1-ol (PubChem CID 107204054) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(2-methylidenebutyl)amino]pentan-1-ol
PubChem CID107204054
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-[methyl(2-methylidenebutyl)amino]pentan-1-ol
SMILESC=C(CC)CN(C)CCCCCO
InChIInChI=1S/C11H23NO/c1-4-11(2)10-12(3)8-6-5-7-9-13/h13H,2,4-10H2,1,3H3
InChIKeyOBMFPYFRNFNBHO-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol (CID 107204054) is 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol is C=C(CC)CN(C)CCCCCO.
What is the InChIKey of 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol?
The InChIKey is OBMFPYFRNFNBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(2)10-12(3)8-6-5-7-9-13/h13H,2,4-10H2,1,3H3.
What are the key properties of 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol?
5-[methyl(2-methylidenebutyl)amino]pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylidenebutyl)amino]pentan-1-ol is sourced from PubChem (CID 107204054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).