1-prop-2-enoxypentan-1-amine

C8H17NO — CID 87176322

IUPAC1-prop-2-enoxypentan-1-amine
SMILESC=CCOC(N)CCCC
InChIInChI=1S/C8H17NO/c1-3-5-6-8(9)10-7-4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeyFNNXDZLBGGGYSL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.66
Rot. Bonds6

About 1-prop-2-enoxypentan-1-amine

1-prop-2-enoxypentan-1-amine (PubChem CID 87176322) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-prop-2-enoxypentan-1-amine.

Molecular Properties

Compound Name1-prop-2-enoxypentan-1-amine
PubChem CID87176322
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-prop-2-enoxypentan-1-amine
SMILESC=CCOC(N)CCCC
InChIInChI=1S/C8H17NO/c1-3-5-6-8(9)10-7-4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeyFNNXDZLBGGGYSL-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypentan-1-amine?
The IUPAC name of 1-prop-2-enoxypentan-1-amine (CID 87176322) is 1-prop-2-enoxypentan-1-amine.
What is the SMILES notation for 1-prop-2-enoxypentan-1-amine?
The canonical SMILES for 1-prop-2-enoxypentan-1-amine is C=CCOC(N)CCCC.
What is the InChIKey of 1-prop-2-enoxypentan-1-amine?
The InChIKey is FNNXDZLBGGGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-6-8(9)10-7-4-2/h4,8H,2-3,5-7,9H2,1H3.
What are the key properties of 1-prop-2-enoxypentan-1-amine?
1-prop-2-enoxypentan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypentan-1-amine is sourced from PubChem (CID 87176322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).