4-(3-methylbut-3-enoxy)butan-1-amine

C9H19NO — CID 114470736

IUPAC4-(3-methylbut-3-enoxy)butan-1-amine
SMILESC=C(C)CCOCCCCN
InChIInChI=1S/C9H19NO/c1-9(2)5-8-11-7-4-3-6-10/h1,3-8,10H2,2H3
InChIKeyCPIZPNFIGAYKDO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds7

About 4-(3-methylbut-3-enoxy)butan-1-amine

4-(3-methylbut-3-enoxy)butan-1-amine (PubChem CID 114470736) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)butan-1-amine.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)butan-1-amine
PubChem CID114470736
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(3-methylbut-3-enoxy)butan-1-amine
SMILESC=C(C)CCOCCCCN
InChIInChI=1S/C9H19NO/c1-9(2)5-8-11-7-4-3-6-10/h1,3-8,10H2,2H3
InChIKeyCPIZPNFIGAYKDO-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 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 ≤ 51.71
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 4-(3-methylbut-3-enoxy)butan-1-amine?
The IUPAC name of 4-(3-methylbut-3-enoxy)butan-1-amine (CID 114470736) is 4-(3-methylbut-3-enoxy)butan-1-amine.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)butan-1-amine?
The canonical SMILES for 4-(3-methylbut-3-enoxy)butan-1-amine is C=C(C)CCOCCCCN.
What is the InChIKey of 4-(3-methylbut-3-enoxy)butan-1-amine?
The InChIKey is CPIZPNFIGAYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)5-8-11-7-4-3-6-10/h1,3-8,10H2,2H3.
What are the key properties of 4-(3-methylbut-3-enoxy)butan-1-amine?
4-(3-methylbut-3-enoxy)butan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enoxy)butan-1-amine is sourced from PubChem (CID 114470736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).