2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol

C11H23NO — CID 106160168

IUPAC2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol
SMILESC=C(C)CCNCCCC(C)CO
InChIInChI=1S/C11H23NO/c1-10(2)6-8-12-7-4-5-11(3)9-13/h11-13H,1,4-9H2,2-3H3
InChIKeyDCJDZQFGBWIDRM-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds8

About 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol

2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol (PubChem CID 106160168) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol
PubChem CID106160168
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol
SMILESC=C(C)CCNCCCC(C)CO
InChIInChI=1S/C11H23NO/c1-10(2)6-8-12-7-4-5-11(3)9-13/h11-13H,1,4-9H2,2-3H3
InChIKeyDCJDZQFGBWIDRM-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
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 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol (CID 106160168) is 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol is C=C(C)CCNCCCC(C)CO.
What is the InChIKey of 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol?
The InChIKey is DCJDZQFGBWIDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-8-12-7-4-5-11(3)9-13/h11-13H,1,4-9H2,2-3H3.
What are the key properties of 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol?
2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbut-3-enylamino)pentan-1-ol is sourced from PubChem (CID 106160168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).