3-(3-methylbut-2-enoxy)propan-1-amine

C8H17NO — CID 58684996

IUPAC3-(3-methylbut-2-enoxy)propan-1-amine
SMILESCC(C)=CCOCCCN
InChIInChI=1S/C8H17NO/c1-8(2)4-7-10-6-3-5-9/h4H,3,5-7,9H2,1-2H3
InChIKeyNAKYRHSEVSBMQD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds5

About 3-(3-methylbut-2-enoxy)propan-1-amine

3-(3-methylbut-2-enoxy)propan-1-amine (PubChem CID 58684996) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxy)propan-1-amine
PubChem CID58684996
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(3-methylbut-2-enoxy)propan-1-amine
SMILESCC(C)=CCOCCCN
InChIInChI=1S/C8H17NO/c1-8(2)4-7-10-6-3-5-9/h4H,3,5-7,9H2,1-2H3
InChIKeyNAKYRHSEVSBMQD-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
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'}

Analyze 3-(3-methylbut-2-enoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxy)propan-1-amine?
The IUPAC name of 3-(3-methylbut-2-enoxy)propan-1-amine (CID 58684996) is 3-(3-methylbut-2-enoxy)propan-1-amine.
What is the SMILES notation for 3-(3-methylbut-2-enoxy)propan-1-amine?
The canonical SMILES for 3-(3-methylbut-2-enoxy)propan-1-amine is CC(C)=CCOCCCN.
What is the InChIKey of 3-(3-methylbut-2-enoxy)propan-1-amine?
The InChIKey is NAKYRHSEVSBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-7-10-6-3-5-9/h4H,3,5-7,9H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxy)propan-1-amine?
3-(3-methylbut-2-enoxy)propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxy)propan-1-amine is sourced from PubChem (CID 58684996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).