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

C9H19NO — CID 149018825

IUPACN-(2-propoxyethyl)but-1-en-2-amine
SMILESC=C(CC)NCCOCCC
InChIInChI=1S/C9H19NO/c1-4-7-11-8-6-10-9(3)5-2/h10H,3-8H2,1-2H3
InChIKeyQDBKUCGJMGVOSA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds7

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

N-(2-propoxyethyl)but-1-en-2-amine (PubChem CID 149018825) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-propoxyethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(2-propoxyethyl)but-1-en-2-amine
PubChem CID149018825
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-propoxyethyl)but-1-en-2-amine
SMILESC=C(CC)NCCOCCC
InChIInChI=1S/C9H19NO/c1-4-7-11-8-6-10-9(3)5-2/h10H,3-8H2,1-2H3
InChIKeyQDBKUCGJMGVOSA-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
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-(2-propoxyethyl)but-1-en-2-amine?
The IUPAC name of N-(2-propoxyethyl)but-1-en-2-amine (CID 149018825) is N-(2-propoxyethyl)but-1-en-2-amine.
What is the SMILES notation for N-(2-propoxyethyl)but-1-en-2-amine?
The canonical SMILES for N-(2-propoxyethyl)but-1-en-2-amine is C=C(CC)NCCOCCC.
What is the InChIKey of N-(2-propoxyethyl)but-1-en-2-amine?
The InChIKey is QDBKUCGJMGVOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7-11-8-6-10-9(3)5-2/h10H,3-8H2,1-2H3.
What are the key properties of N-(2-propoxyethyl)but-1-en-2-amine?
N-(2-propoxyethyl)but-1-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)but-1-en-2-amine is sourced from PubChem (CID 149018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).