N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen

C15H31NO3 — CID 166554710

IUPACN-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
SMILESCC(C)C#CCOCCOCCOCCNC(C)C.[H][H]
InChIInChI=1S/C15H29NO3.H2/c1-14(2)6-5-8-17-10-12-19-13-11-18-9-7-16-15(3)4;/h14-16H,7-13H2,1-4H3;1H
InChIKeyZVVXYSXWRRCYAT-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.94
Rot. Bonds11

About N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen

N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen (PubChem CID 166554710) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
PubChem CID166554710
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
SMILESCC(C)C#CCOCCOCCOCCNC(C)C.[H][H]
InChIInChI=1S/C15H29NO3.H2/c1-14(2)6-5-8-17-10-12-19-13-11-18-9-7-16-15(3)4;/h14-16H,7-13H2,1-4H3;1H
InChIKeyZVVXYSXWRRCYAT-UHFFFAOYSA-N
XLogP1.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 168959349
N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine
CID 155655523
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
CID 165382525
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
CID 170709372
N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
CID 140945350
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 156795110
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
CID 62341837

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen?
The IUPAC name of N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen (CID 166554710) is N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen is CC(C)C#CCOCCOCCOCCNC(C)C.[H][H].
What is the InChIKey of N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen?
The InChIKey is ZVVXYSXWRRCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.H2/c1-14(2)6-5-8-17-10-12-19-13-11-18-9-7-16-15(3)4;/h14-16H,7-13H2,1-4H3;1H.
What are the key properties of N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen?
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen has a molecular weight of 273.42 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 166554710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).