N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine

C16H27NO2 — CID 155655523

IUPACN-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)CC#CC#CCOCCOCCNC(C)C
InChIInChI=1S/C16H27NO2/c1-15(2)9-7-5-6-8-11-18-13-14-19-12-10-17-16(3)4/h15-17H,9-14H2,1-4H3
InChIKeyRPXVVARJZANXQI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.07
Rot. Bonds9

About N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 155655523) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine
PubChem CID155655523
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)CC#CC#CCOCCOCCNC(C)C
InChIInChI=1S/C16H27NO2/c1-15(2)9-7-5-6-8-11-18-13-14-19-12-10-17-16(3)4/h15-17H,9-14H2,1-4H3
InChIKeyRPXVVARJZANXQI-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
CID 62341837
N,2-dimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine;methane
CID 167553463
N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
CID 140945350
N-(2-but-3-ynoxyethyl)propan-2-amine
CID 62342205
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine (CID 155655523) is N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine is CC(C)CC#CC#CCOCCOCCNC(C)C.
What is the InChIKey of N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is RPXVVARJZANXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(2)9-7-5-6-8-11-18-13-14-19-12-10-17-16(3)4/h15-17H,9-14H2,1-4H3.
What are the key properties of N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 155655523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).