5-methoxy-2-methylidenepentan-1-amine

C7H15NO — CID 117266250

IUPAC5-methoxy-2-methylidenepentan-1-amine
SMILESC=C(CN)CCCOC
InChIInChI=1S/C7H15NO/c1-7(6-8)4-3-5-9-2/h1,3-6,8H2,2H3
InChIKeyZJXAUWUSCVXFNH-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds5

About 5-methoxy-2-methylidenepentan-1-amine

5-methoxy-2-methylidenepentan-1-amine (PubChem CID 117266250) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-methoxy-2-methylidenepentan-1-amine.

Molecular Properties

Compound Name5-methoxy-2-methylidenepentan-1-amine
PubChem CID117266250
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-methoxy-2-methylidenepentan-1-amine
SMILESC=C(CN)CCCOC
InChIInChI=1S/C7H15NO/c1-7(6-8)4-3-5-9-2/h1,3-6,8H2,2H3
InChIKeyZJXAUWUSCVXFNH-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
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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Related Compounds

4-(Aminomethyl)pent-4-en-1-ol
CID 89093313
(5-methyl-4H-pyran-3-yl)methanamine
CID 143517599
5-Methoxy-2-methylpent-1-en-1-amine
CID 175430102
4-(Methoxymethyl)pent-4-en-1-amine
CID 103392180
(3,4-Dihydro-2h-pyran-5-yl)methanamine
CID 104058857
5-Methoxy-3-methylidenepentan-1-amine
CID 117268189

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylidenepentan-1-amine?
The IUPAC name of 5-methoxy-2-methylidenepentan-1-amine (CID 117266250) is 5-methoxy-2-methylidenepentan-1-amine.
What is the SMILES notation for 5-methoxy-2-methylidenepentan-1-amine?
The canonical SMILES for 5-methoxy-2-methylidenepentan-1-amine is C=C(CN)CCCOC.
What is the InChIKey of 5-methoxy-2-methylidenepentan-1-amine?
The InChIKey is ZJXAUWUSCVXFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(6-8)4-3-5-9-2/h1,3-6,8H2,2H3.
What are the key properties of 5-methoxy-2-methylidenepentan-1-amine?
5-methoxy-2-methylidenepentan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylidenepentan-1-amine is sourced from PubChem (CID 117266250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).