N-(2-prop-2-enoxyethyl)butan-1-amine

C9H19NO — CID 62571284

IUPACN-(2-prop-2-enoxyethyl)butan-1-amine
SMILESCCCCNCCOCC=C
InChIInChI=1S/C9H19NO/c1-3-5-6-10-7-9-11-8-4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyQLDCIOIDSGGCLE-UHFFFAOYSA-N
MW157.25 g/mol
LogP1.50
Rot. Bonds8

About N-(2-prop-2-enoxyethyl)butan-1-amine

N-(2-prop-2-enoxyethyl)butan-1-amine (PubChem CID 62571284) has the molecular formula C9H19NO and a molecular weight of 157.25 g/mol. Its IUPAC name is N-(2-prop-2-enoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-prop-2-enoxyethyl)butan-1-amine
PubChem CID62571284
Molecular FormulaC9H19NO
Molecular Weight157.25 g/mol
Exact Mass157.15
IUPAC NameN-(2-prop-2-enoxyethyl)butan-1-amine
SMILESCCCCNCCOCC=C
InChIInChI=1S/C9H19NO/c1-3-5-6-10-7-9-11-8-4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyQLDCIOIDSGGCLE-UHFFFAOYSA-N
XLogP1.50
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity83

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enoxyethyl)butan-1-amine?
The IUPAC name of N-(2-prop-2-enoxyethyl)butan-1-amine (CID 62571284) is N-(2-prop-2-enoxyethyl)butan-1-amine.
What is the SMILES notation for N-(2-prop-2-enoxyethyl)butan-1-amine?
The canonical SMILES for N-(2-prop-2-enoxyethyl)butan-1-amine is CCCCNCCOCC=C.
What is the InChIKey of N-(2-prop-2-enoxyethyl)butan-1-amine?
The InChIKey is QLDCIOIDSGGCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-6-10-7-9-11-8-4-2/h4,10H,2-3,5-9H2,1H3.
What are the key properties of N-(2-prop-2-enoxyethyl)butan-1-amine?
N-(2-prop-2-enoxyethyl)butan-1-amine has a molecular weight of 157.25 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enoxyethyl)butan-1-amine is sourced from PubChem (CID 62571284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).