4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine

C12H25NO — CID 114470721

IUPAC4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
SMILESC=C(C)CCOCCCCNC(C)C
InChIInChI=1S/C12H25NO/c1-11(2)7-10-14-9-6-5-8-13-12(3)4/h12-13H,1,5-10H2,2-4H3
InChIKeyILTMDMBBICAUHJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds9

About 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine

4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 114470721) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
PubChem CID114470721
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
SMILESC=C(C)CCOCCCCNC(C)C
InChIInChI=1S/C12H25NO/c1-11(2)7-10-14-9-6-5-8-13-12(3)4/h12-13H,1,5-10H2,2-4H3
InChIKeyILTMDMBBICAUHJ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
CID 114470839
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898
N-(2-decoxyethyl)propan-2-amine
CID 63399572
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
CID 165106129

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine (CID 114470721) is 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine is C=C(C)CCOCCCCNC(C)C.
What is the InChIKey of 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is ILTMDMBBICAUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)7-10-14-9-6-5-8-13-12(3)4/h12-13H,1,5-10H2,2-4H3.
What are the key properties of 4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine?
4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 9 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)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114470721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).