N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine

C13H23NO — CID 137428975

IUPACN-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine
SMILESC=C1COC(C)(CCN(C)CCC)C1=C
InChIInChI=1S/C13H23NO/c1-6-8-14(5)9-7-13(4)12(3)11(2)10-15-13/h2-3,6-10H2,1,4-5H3
InChIKeyDOQZGRALHSLPTR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine

N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine (PubChem CID 137428975) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine
PubChem CID137428975
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine
SMILESC=C1COC(C)(CCN(C)CCC)C1=C
InChIInChI=1S/C13H23NO/c1-6-8-14(5)9-7-13(4)12(3)11(2)10-15-13/h2-3,6-10H2,1,4-5H3
InChIKeyDOQZGRALHSLPTR-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine (CID 137428975) is N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine is C=C1COC(C)(CCN(C)CCC)C1=C.
What is the InChIKey of N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is DOQZGRALHSLPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-8-14(5)9-7-13(4)12(3)11(2)10-15-13/h2-3,6-10H2,1,4-5H3.
What are the key properties of N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine?
N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 137428975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).