N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen

C12H29NO2 — CID 171507882

IUPACN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
SMILESCC(C)CCOCCOCCNC(C)C.[H][H]
InChIInChI=1S/C12H27NO2.H2/c1-11(2)5-7-14-9-10-15-8-6-13-12(3)4;/h11-13H,5-10H2,1-4H3;1H
InChIKeyAFPPARKVMWHJCD-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.31
Rot. Bonds10

About N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen

N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen (PubChem CID 171507882) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
PubChem CID171507882
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC NameN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
SMILESCC(C)CCOCCOCCNC(C)C.[H][H]
InChIInChI=1S/C12H27NO2.H2/c1-11(2)5-7-14-9-10-15-8-6-13-12(3)4;/h11-13H,5-10H2,1-4H3;1H
InChIKeyAFPPARKVMWHJCD-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
CID 103389691
1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
CID 107859702
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
N,2-dimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine;methane
CID 167553463
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen?
The IUPAC name of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen (CID 171507882) is N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen is CC(C)CCOCCOCCNC(C)C.[H][H].
What is the InChIKey of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen?
The InChIKey is AFPPARKVMWHJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2.H2/c1-11(2)5-7-14-9-10-15-8-6-13-12(3)4;/h11-13H,5-10H2,1-4H3;1H.
What are the key properties of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen?
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen has a molecular weight of 219.37 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 171507882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).