2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine

C14H29NO2 — CID 145468469

IUPAC2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)NCC(C)(CC)OCCC(C)(C)OC
InChIInChI=1S/C14H29NO2/c1-8-14(6,11-15-12(2)3)17-10-9-13(4,5)16-7/h15H,2,8-11H2,1,3-7H3
InChIKeyKQKLDAOPVFITIO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.11
Rot. Bonds9

About 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine

2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 145468469) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID145468469
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)NCC(C)(CC)OCCC(C)(C)OC
InChIInChI=1S/C14H29NO2/c1-8-14(6,11-15-12(2)3)17-10-9-13(4,5)16-7/h15H,2,8-11H2,1,3-7H3
InChIKeyKQKLDAOPVFITIO-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 145468469) is 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)NCC(C)(CC)OCCC(C)(C)OC.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is KQKLDAOPVFITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-8-14(6,11-15-12(2)3)17-10-9-13(4,5)16-7/h15H,2,8-11H2,1,3-7H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 145468469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).