3-methylidene-5-[methyl(propyl)amino]pentan-1-ol

C10H21NO — CID 142034363

IUPAC3-methylidene-5-[methyl(propyl)amino]pentan-1-ol
SMILESC=C(CCO)CCN(C)CCC
InChIInChI=1S/C10H21NO/c1-4-7-11(3)8-5-10(2)6-9-12/h12H,2,4-9H2,1,3H3
InChIKeyRQVKQNDIEIFBCX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds7

About 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol

3-methylidene-5-[methyl(propyl)amino]pentan-1-ol (PubChem CID 142034363) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methylidene-5-[methyl(propyl)amino]pentan-1-ol
PubChem CID142034363
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methylidene-5-[methyl(propyl)amino]pentan-1-ol
SMILESC=C(CCO)CCN(C)CCC
InChIInChI=1S/C10H21NO/c1-4-7-11(3)8-5-10(2)6-9-12/h12H,2,4-9H2,1,3H3
InChIKeyRQVKQNDIEIFBCX-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
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-methylidene-5-[methyl(propyl)amino]pentan-1-ol?
The IUPAC name of 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol (CID 142034363) is 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol.
What is the SMILES notation for 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol?
The canonical SMILES for 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol is C=C(CCO)CCN(C)CCC.
What is the InChIKey of 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol?
The InChIKey is RQVKQNDIEIFBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-11(3)8-5-10(2)6-9-12/h12H,2,4-9H2,1,3H3.
What are the key properties of 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol?
3-methylidene-5-[methyl(propyl)amino]pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-[methyl(propyl)amino]pentan-1-ol is sourced from PubChem (CID 142034363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).