2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine

C9H19NO — CID 166782965

IUPAC2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine
SMILESCCCC(CN)/C(C)=C/OC
InChIInChI=1S/C9H19NO/c1-4-5-9(6-10)8(2)7-11-3/h7,9H,4-6,10H2,1-3H3/b8-7+
InChIKeyYKEBTTPCWJOCFD-BQYQJAHWSA-N
MW157.26 g/mol
LogP1.91
Rot. Bonds5

About 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine

2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine (PubChem CID 166782965) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine
PubChem CID166782965
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine
SMILESCCCC(CN)/C(C)=C/OC
InChIInChI=1S/C9H19NO/c1-4-5-9(6-10)8(2)7-11-3/h7,9H,4-6,10H2,1-3H3/b8-7+
InChIKeyYKEBTTPCWJOCFD-BQYQJAHWSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine?
The IUPAC name of 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine (CID 166782965) is 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine?
The canonical SMILES for 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine is CCCC(CN)/C(C)=C/OC.
What is the InChIKey of 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine?
The InChIKey is YKEBTTPCWJOCFD-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-9(6-10)8(2)7-11-3/h7,9H,4-6,10H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine?
2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine is sourced from PubChem (CID 166782965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).