N-(butoxymethyl)prop-2-en-1-amine

C8H17NO — CID 174591457

IUPACN-(butoxymethyl)prop-2-en-1-amine
SMILESC=CCNCOCCCC
InChIInChI=1S/C8H17NO/c1-3-5-7-10-8-9-6-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyPSUWDVQCHOCIJM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds7

About N-(butoxymethyl)prop-2-en-1-amine

N-(butoxymethyl)prop-2-en-1-amine (PubChem CID 174591457) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(butoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(butoxymethyl)prop-2-en-1-amine
PubChem CID174591457
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(butoxymethyl)prop-2-en-1-amine
SMILESC=CCNCOCCCC
InChIInChI=1S/C8H17NO/c1-3-5-7-10-8-9-6-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyPSUWDVQCHOCIJM-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(butoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-(butoxymethyl)prop-2-en-1-amine (CID 174591457) is N-(butoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(butoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-(butoxymethyl)prop-2-en-1-amine is C=CCNCOCCCC.
What is the InChIKey of N-(butoxymethyl)prop-2-en-1-amine?
The InChIKey is PSUWDVQCHOCIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-7-10-8-9-6-4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of N-(butoxymethyl)prop-2-en-1-amine?
N-(butoxymethyl)prop-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 174591457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).