2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine

C12H25NO — CID 62441688

IUPAC2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine
SMILESC=CCCOC(CC)CNCC(C)C
InChIInChI=1S/C12H25NO/c1-5-7-8-14-12(6-2)10-13-9-11(3)4/h5,11-13H,1,6-10H2,2-4H3
InChIKeyUDWVCMYJUNCJAU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

About 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine

2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 62441688) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine
PubChem CID62441688
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine
SMILESC=CCCOC(CC)CNCC(C)C
InChIInChI=1S/C12H25NO/c1-5-7-8-14-12(6-2)10-13-9-11(3)4/h5,11-13H,1,6-10H2,2-4H3
InChIKeyUDWVCMYJUNCJAU-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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

2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
N-(2-methoxyethyl)pent-4-en-1-amine
CID 62602902
3-Ethenyl-4-propan-2-yloxypyrrolidine
CID 67033590
2,6-Bis(prop-2-enyl)morpholine
CID 67417805
2-But-3-en-2-ylmorpholine
CID 68590860
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
2-Hexa-1,4-dien-3-ylmorpholine
CID 123162376
N-[2-[3-[(2R)-but-3-en-2-yl]oxypropoxy]ethyl]-2-methylpropan-1-amine
CID 135278444
N-(2-hepta-1,6-dien-4-yloxyethyl)propan-1-amine
CID 138465335
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
(3S,4R)-3-ethenyl-4-propan-2-yloxypyrrolidine
CID 141287490

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine (CID 62441688) is 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine is C=CCCOC(CC)CNCC(C)C.
What is the InChIKey of 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UDWVCMYJUNCJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-8-14-12(6-2)10-13-9-11(3)4/h5,11-13H,1,6-10H2,2-4H3.
What are the key properties of 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine?
2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62441688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).