4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine

C11H23NO — CID 166111983

IUPAC4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
SMILESC=C(C)COCCCCNC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)9-13-8-6-5-7-12-11(3)4/h11-12H,1,5-9H2,2-4H3
InChIKeyVMSOLIBMZLMQDC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds8

About 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine

4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 166111983) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
PubChem CID166111983
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
SMILESC=C(C)COCCCCNC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)9-13-8-6-5-7-12-11(3)4/h11-12H,1,5-9H2,2-4H3
InChIKeyVMSOLIBMZLMQDC-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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

4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
CID 114470721
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine
CID 62342403
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine (CID 166111983) is 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine is C=C(C)COCCCCNC(C)C.
What is the InChIKey of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is VMSOLIBMZLMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)9-13-8-6-5-7-12-11(3)4/h11-12H,1,5-9H2,2-4H3.
What are the key properties of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine?
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 166111983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).