5-methoxy-N-prop-1-en-2-ylpentan-1-amine

C9H19NO — CID 166735350

IUPAC5-methoxy-N-prop-1-en-2-ylpentan-1-amine
SMILESC=C(C)NCCCCCOC
InChIInChI=1S/C9H19NO/c1-9(2)10-7-5-4-6-8-11-3/h10H,1,4-8H2,2-3H3
InChIKeyYCJZBYFVKDSHCO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds7

About 5-methoxy-N-prop-1-en-2-ylpentan-1-amine

5-methoxy-N-prop-1-en-2-ylpentan-1-amine (PubChem CID 166735350) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-methoxy-N-prop-1-en-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-prop-1-en-2-ylpentan-1-amine
PubChem CID166735350
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-methoxy-N-prop-1-en-2-ylpentan-1-amine
SMILESC=C(C)NCCCCCOC
InChIInChI=1S/C9H19NO/c1-9(2)10-7-5-4-6-8-11-3/h10H,1,4-8H2,2-3H3
InChIKeyYCJZBYFVKDSHCO-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-prop-1-en-2-ylpentan-1-amine?
The IUPAC name of 5-methoxy-N-prop-1-en-2-ylpentan-1-amine (CID 166735350) is 5-methoxy-N-prop-1-en-2-ylpentan-1-amine.
What is the SMILES notation for 5-methoxy-N-prop-1-en-2-ylpentan-1-amine?
The canonical SMILES for 5-methoxy-N-prop-1-en-2-ylpentan-1-amine is C=C(C)NCCCCCOC.
What is the InChIKey of 5-methoxy-N-prop-1-en-2-ylpentan-1-amine?
The InChIKey is YCJZBYFVKDSHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)10-7-5-4-6-8-11-3/h10H,1,4-8H2,2-3H3.
What are the key properties of 5-methoxy-N-prop-1-en-2-ylpentan-1-amine?
5-methoxy-N-prop-1-en-2-ylpentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-prop-1-en-2-ylpentan-1-amine is sourced from PubChem (CID 166735350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).