N-(2-but-3-enoxyethyl)propan-2-amine

C9H19NO — CID 62442682

IUPACN-(2-but-3-enoxyethyl)propan-2-amine
SMILESC=CCCOCCNC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-7-11-8-6-10-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyKEXBERIYOSVNOK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds7

About N-(2-but-3-enoxyethyl)propan-2-amine

N-(2-but-3-enoxyethyl)propan-2-amine (PubChem CID 62442682) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)propan-2-amine
PubChem CID62442682
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-but-3-enoxyethyl)propan-2-amine
SMILESC=CCCOCCNC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-7-11-8-6-10-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyKEXBERIYOSVNOK-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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-but-3-enoxyethyl)propan-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)propan-2-amine (CID 62442682) is N-(2-but-3-enoxyethyl)propan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)propan-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)propan-2-amine is C=CCCOCCNC(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)propan-2-amine?
The InChIKey is KEXBERIYOSVNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-7-11-8-6-10-9(2)3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)propan-2-amine?
N-(2-but-3-enoxyethyl)propan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)propan-2-amine is sourced from PubChem (CID 62442682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).