2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen

C17H39NO3 — CID 169213681

IUPAC2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCCC(C)CCCOCCOCCOCCNCC(C)C.[H][H]
InChIInChI=1S/C17H37NO3.H2/c1-5-17(4)7-6-9-19-11-13-21-14-12-20-10-8-18-15-16(2)3;/h16-18H,5-15H2,1-4H3;1H
InChIKeyHFQBYTFRTDTNJV-UHFFFAOYSA-N
MW305.50 g/mol
LogP3.35
Rot. Bonds16

About 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen

2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen (PubChem CID 169213681) has the molecular formula C17H39NO3 and a molecular weight of 305.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
PubChem CID169213681
Molecular FormulaC17H39NO3
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC Name2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCCC(C)CCCOCCOCCOCCNCC(C)C.[H][H]
InChIInChI=1S/C17H37NO3.H2/c1-5-17(4)7-6-9-19-11-13-21-14-12-20-10-8-18-15-16(2)3;/h16-18H,5-15H2,1-4H3;1H
InChIKeyHFQBYTFRTDTNJV-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
CID 156795196
N-[2-[2-[2-(3-fluoro-5-methylhexoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 174252590
Bis[2-(2-ethylhexyloxy)ethyl]amine
CID 4393877
3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine
CID 22735031
2-(3,5,5-trimethylhexoxy)-N-[2-(3,5,5-trimethylhexoxy)ethyl]ethanamine
CID 87914026
2-[4-(3,5,5-trimethylhexoxy)butoxy]-N-[2-[4-(3,5,5-trimethylhexoxy)butoxy]ethyl]ethanamine
CID 87914102
4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine
CID 90875916
5-methyl-N-[2-(3-methylbutoxy)ethyl]-7-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]heptan-2-amine
CID 123391751
N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine
CID 123893755
N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine
CID 129164544
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine
CID 134579861
N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 135175178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen (CID 169213681) is 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen is CCC(C)CCCOCCOCCOCCNCC(C)C.[H][H].
What is the InChIKey of 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The InChIKey is HFQBYTFRTDTNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3.H2/c1-5-17(4)7-6-9-19-11-13-21-14-12-20-10-8-18-15-16(2)3;/h16-18H,5-15H2,1-4H3;1H.
What are the key properties of 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen has a molecular weight of 305.50 g/mol, XLogP of 3.35, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 169213681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).