N-(propoxymethyl)but-1-en-2-amine

C8H17NO — CID 89086618

IUPACN-(propoxymethyl)but-1-en-2-amine
SMILESC=C(CC)NCOCCC
InChIInChI=1S/C8H17NO/c1-4-6-10-7-9-8(3)5-2/h9H,3-7H2,1-2H3
InChIKeyIGNXYIVEDAIJGY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.88
Rot. Bonds6

About N-(propoxymethyl)but-1-en-2-amine

N-(propoxymethyl)but-1-en-2-amine (PubChem CID 89086618) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(propoxymethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(propoxymethyl)but-1-en-2-amine
PubChem CID89086618
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(propoxymethyl)but-1-en-2-amine
SMILESC=C(CC)NCOCCC
InChIInChI=1S/C8H17NO/c1-4-6-10-7-9-8(3)5-2/h9H,3-7H2,1-2H3
InChIKeyIGNXYIVEDAIJGY-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(propoxymethyl)but-1-en-2-amine?
The IUPAC name of N-(propoxymethyl)but-1-en-2-amine (CID 89086618) is N-(propoxymethyl)but-1-en-2-amine.
What is the SMILES notation for N-(propoxymethyl)but-1-en-2-amine?
The canonical SMILES for N-(propoxymethyl)but-1-en-2-amine is C=C(CC)NCOCCC.
What is the InChIKey of N-(propoxymethyl)but-1-en-2-amine?
The InChIKey is IGNXYIVEDAIJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-10-7-9-8(3)5-2/h9H,3-7H2,1-2H3.
What are the key properties of N-(propoxymethyl)but-1-en-2-amine?
N-(propoxymethyl)but-1-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propoxymethyl)but-1-en-2-amine is sourced from PubChem (CID 89086618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).