3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine

C12H26N2O — CID 143332735

IUPAC3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine
SMILESC=CC(C)(N)CCOC(C)(CC)CCN
InChIInChI=1S/C12H26N2O/c1-5-11(3,14)8-10-15-12(4,6-2)7-9-13/h5H,1,6-10,13-14H2,2-4H3
InChIKeyMHLJARFJIUPCLX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.81
Rot. Bonds8

About 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine

3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine (PubChem CID 143332735) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine
PubChem CID143332735
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine
SMILESC=CC(C)(N)CCOC(C)(CC)CCN
InChIInChI=1S/C12H26N2O/c1-5-11(3,14)8-10-15-12(4,6-2)7-9-13/h5H,1,6-10,13-14H2,2-4H3
InChIKeyMHLJARFJIUPCLX-UHFFFAOYSA-N
XLogP1.81
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-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-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine?
The IUPAC name of 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine (CID 143332735) is 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine.
What is the SMILES notation for 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine?
The canonical SMILES for 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine is C=CC(C)(N)CCOC(C)(CC)CCN.
What is the InChIKey of 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine?
The InChIKey is MHLJARFJIUPCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11(3,14)8-10-15-12(4,6-2)7-9-13/h5H,1,6-10,13-14H2,2-4H3.
What are the key properties of 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine?
3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine is sourced from PubChem (CID 143332735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).