4-but-3-enoxy-N-ethylbutan-1-amine

C10H21NO — CID 62441673

IUPAC4-but-3-enoxy-N-ethylbutan-1-amine
SMILESC=CCCOCCCCNCC
InChIInChI=1S/C10H21NO/c1-3-5-9-12-10-7-6-8-11-4-2/h3,11H,1,4-10H2,2H3
InChIKeyXSRHUHDLCNYQQU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds9

About 4-but-3-enoxy-N-ethylbutan-1-amine

4-but-3-enoxy-N-ethylbutan-1-amine (PubChem CID 62441673) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-but-3-enoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-but-3-enoxy-N-ethylbutan-1-amine
PubChem CID62441673
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-but-3-enoxy-N-ethylbutan-1-amine
SMILESC=CCCOCCCCNCC
InChIInChI=1S/C10H21NO/c1-3-5-9-12-10-7-6-8-11-4-2/h3,11H,1,4-10H2,2H3
InChIKeyXSRHUHDLCNYQQU-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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

N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
CID 106402426
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
4-but-3-enoxybutan-1-amine
CID 62443068
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N-ethylbutan-1-amine?
The IUPAC name of 4-but-3-enoxy-N-ethylbutan-1-amine (CID 62441673) is 4-but-3-enoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 4-but-3-enoxy-N-ethylbutan-1-amine?
The canonical SMILES for 4-but-3-enoxy-N-ethylbutan-1-amine is C=CCCOCCCCNCC.
What is the InChIKey of 4-but-3-enoxy-N-ethylbutan-1-amine?
The InChIKey is XSRHUHDLCNYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-9-12-10-7-6-8-11-4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 4-but-3-enoxy-N-ethylbutan-1-amine?
4-but-3-enoxy-N-ethylbutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N-ethylbutan-1-amine is sourced from PubChem (CID 62441673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).