N-(2-but-2-enoxyethyl)propan-1-amine

C9H19NO — CID 76940105

IUPACN-(2-but-2-enoxyethyl)propan-1-amine
SMILESCC=CCOCCNCCC
InChIInChI=1S/C9H19NO/c1-3-5-8-11-9-7-10-6-4-2/h3,5,10H,4,6-9H2,1-2H3
InChIKeyMMNZXYKZOLEOII-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds7

About N-(2-but-2-enoxyethyl)propan-1-amine

N-(2-but-2-enoxyethyl)propan-1-amine (PubChem CID 76940105) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-but-2-enoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-but-2-enoxyethyl)propan-1-amine
PubChem CID76940105
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-but-2-enoxyethyl)propan-1-amine
SMILESCC=CCOCCNCCC
InChIInChI=1S/C9H19NO/c1-3-5-8-11-9-7-10-6-4-2/h3,5,10H,4,6-9H2,1-2H3
InChIKeyMMNZXYKZOLEOII-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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Related Compounds

1-but-2-enoxybutane
CID 543904
N-(2-but-2-enoxyethyl)pentan-2-amine
CID 76946862
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
CID 143071709
1,6-bis(but-2-enoxy)hexane
CID 173425920
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
2-[(E)-but-2-enoxy]ethyl 3-(butylamino)propanoate
CID 54030765
2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine
CID 103227663
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733

Frequently Asked Questions

What is the IUPAC name of N-(2-but-2-enoxyethyl)propan-1-amine?
The IUPAC name of N-(2-but-2-enoxyethyl)propan-1-amine (CID 76940105) is N-(2-but-2-enoxyethyl)propan-1-amine.
What is the SMILES notation for N-(2-but-2-enoxyethyl)propan-1-amine?
The canonical SMILES for N-(2-but-2-enoxyethyl)propan-1-amine is CC=CCOCCNCCC.
What is the InChIKey of N-(2-but-2-enoxyethyl)propan-1-amine?
The InChIKey is MMNZXYKZOLEOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8-11-9-7-10-6-4-2/h3,5,10H,4,6-9H2,1-2H3.
What are the key properties of N-(2-but-2-enoxyethyl)propan-1-amine?
N-(2-but-2-enoxyethyl)propan-1-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-2-enoxyethyl)propan-1-amine is sourced from PubChem (CID 76940105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).