ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine

C17H41NO3S — CID 177359498

IUPACethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
SMILESCC.CC.CCOCCOCCNCCCCCCOSC
InChIInChI=1S/C13H29NO3S.2C2H6/c1-3-15-12-13-16-11-9-14-8-6-4-5-7-10-17-18-2;2*1-2/h14H,3-13H2,1-2H3;2*1-2H3
InChIKeyNDPNBOWPSBVJFF-UHFFFAOYSA-N
MW339.59 g/mol
LogP4.54
Rot. Bonds15

About ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine

ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine (PubChem CID 177359498) has the molecular formula C17H41NO3S and a molecular weight of 339.59 g/mol. Its IUPAC name is ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine.

Molecular Properties

Compound Nameethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
PubChem CID177359498
Molecular FormulaC17H41NO3S
Molecular Weight339.59 g/mol
Exact Mass339.28
IUPAC Nameethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
SMILESCC.CC.CCOCCOCCNCCCCCCOSC
InChIInChI=1S/C13H29NO3S.2C2H6/c1-3-15-12-13-16-11-9-14-8-6-4-5-7-10-17-18-2;2*1-2/h14H,3-13H2,1-2H3;2*1-2H3
InChIKeyNDPNBOWPSBVJFF-UHFFFAOYSA-N
XLogP4.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
CID 177359477
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
7-ethoxy-N-propylheptan-1-amine
CID 163393813
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine?
The IUPAC name of ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine (CID 177359498) is ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine.
What is the SMILES notation for ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine?
The canonical SMILES for ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine is CC.CC.CCOCCOCCNCCCCCCOSC.
What is the InChIKey of ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine?
The InChIKey is NDPNBOWPSBVJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S.2C2H6/c1-3-15-12-13-16-11-9-14-8-6-4-5-7-10-17-18-2;2*1-2/h14H,3-13H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine?
ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine has a molecular weight of 339.59 g/mol, XLogP of 4.54, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine is sourced from PubChem (CID 177359498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).