3-methyl-3-(2-methylidenebutylamino)pentan-1-ol

C11H23NO — CID 106175090

IUPAC3-methyl-3-(2-methylidenebutylamino)pentan-1-ol
SMILESC=C(CC)CNC(C)(CC)CCO
InChIInChI=1S/C11H23NO/c1-5-10(3)9-12-11(4,6-2)7-8-13/h12-13H,3,5-9H2,1-2,4H3
InChIKeyYXMKYLXMNFGRAN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds7

About 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol

3-methyl-3-(2-methylidenebutylamino)pentan-1-ol (PubChem CID 106175090) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2-methylidenebutylamino)pentan-1-ol
PubChem CID106175090
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-3-(2-methylidenebutylamino)pentan-1-ol
SMILESC=C(CC)CNC(C)(CC)CCO
InChIInChI=1S/C11H23NO/c1-5-10(3)9-12-11(4,6-2)7-8-13/h12-13H,3,5-9H2,1-2,4H3
InChIKeyYXMKYLXMNFGRAN-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol (CID 106175090) is 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol is C=C(CC)CNC(C)(CC)CCO.
What is the InChIKey of 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
The InChIKey is YXMKYLXMNFGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(3)9-12-11(4,6-2)7-8-13/h12-13H,3,5-9H2,1-2,4H3.
What are the key properties of 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
3-methyl-3-(2-methylidenebutylamino)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylidenebutylamino)pentan-1-ol is sourced from PubChem (CID 106175090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).