5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine

C14H28N2O — CID 176561005

IUPAC5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine
SMILESC=CC(N)CC(C)(C)OCC(C=C)C(C)(C)N
InChIInChI=1S/C14H28N2O/c1-7-11(14(5,6)16)10-17-13(3,4)9-12(15)8-2/h7-8,11-12H,1-2,9-10,15-16H2,3-6H3
InChIKeyHBUGZPDJFWYDGX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds8

About 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine

5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine (PubChem CID 176561005) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine.

Molecular Properties

Compound Name5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine
PubChem CID176561005
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine
SMILESC=CC(N)CC(C)(C)OCC(C=C)C(C)(C)N
InChIInChI=1S/C14H28N2O/c1-7-11(14(5,6)16)10-17-13(3,4)9-12(15)8-2/h7-8,11-12H,1-2,9-10,15-16H2,3-6H3
InChIKeyHBUGZPDJFWYDGX-UHFFFAOYSA-N
XLogP2.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-But-3-enoxy-4-methylpentan-2-amine
CID 90749707
(3S)-1-(5-amino-3-methylhex-1-en-3-yl)oxy-2,3-dimethylpentan-3-amine
CID 141966108
3-(3-Amino-3-methylpent-4-enoxy)-3-methylpentan-1-amine
CID 143332735
4-(2,3-Dimethylbut-3-enoxy)-4-methylpentan-2-amine
CID 148531482
5-(4-Amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine
CID 166124462
5-Methoxy-5-methylhex-1-en-3-amine
CID 103028038

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine?
The IUPAC name of 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine (CID 176561005) is 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine.
What is the SMILES notation for 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine?
The canonical SMILES for 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine is C=CC(N)CC(C)(C)OCC(C=C)C(C)(C)N.
What is the InChIKey of 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine?
The InChIKey is HBUGZPDJFWYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-11(14(5,6)16)10-17-13(3,4)9-12(15)8-2/h7-8,11-12H,1-2,9-10,15-16H2,3-6H3.
What are the key properties of 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine?
5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine is sourced from PubChem (CID 176561005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).