N-(3-methoxypropyl)but-1-en-2-amine

C8H17NO — CID 90245952

IUPACN-(3-methoxypropyl)but-1-en-2-amine
SMILESC=C(CC)NCCCOC
InChIInChI=1S/C8H17NO/c1-4-8(2)9-6-5-7-10-3/h9H,2,4-7H2,1,3H3
InChIKeyFGAHWPHEBQZCEC-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds6

About N-(3-methoxypropyl)but-1-en-2-amine

N-(3-methoxypropyl)but-1-en-2-amine (PubChem CID 90245952) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-methoxypropyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)but-1-en-2-amine
PubChem CID90245952
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3-methoxypropyl)but-1-en-2-amine
SMILESC=C(CC)NCCCOC
InChIInChI=1S/C8H17NO/c1-4-8(2)9-6-5-7-10-3/h9H,2,4-7H2,1,3H3
InChIKeyFGAHWPHEBQZCEC-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 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 ≤ 51.54
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 N-(3-methoxypropyl)but-1-en-2-amine?
The IUPAC name of N-(3-methoxypropyl)but-1-en-2-amine (CID 90245952) is N-(3-methoxypropyl)but-1-en-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)but-1-en-2-amine?
The canonical SMILES for N-(3-methoxypropyl)but-1-en-2-amine is C=C(CC)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)but-1-en-2-amine?
The InChIKey is FGAHWPHEBQZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(2)9-6-5-7-10-3/h9H,2,4-7H2,1,3H3.
What are the key properties of N-(3-methoxypropyl)but-1-en-2-amine?
N-(3-methoxypropyl)but-1-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)but-1-en-2-amine is sourced from PubChem (CID 90245952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).