ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane

C14H37NO3 — CID 142385980

IUPACethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane
SMILESCC.CCC.COCCOCCOCCCCN.[H][H]
InChIInChI=1S/C9H21NO3.C3H8.C2H6.H2/c1-11-6-7-13-9-8-12-5-3-2-4-10;1-3-2;1-2;/h2-10H2,1H3;3H2,1-2H3;1-2H3;1H
InChIKeyRFDGYLSQSRWGJT-UHFFFAOYSA-N
MW267.45 g/mol
LogP3.09
Rot. Bonds10

About ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane

ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane (PubChem CID 142385980) has the molecular formula C14H37NO3 and a molecular weight of 267.45 g/mol. Its IUPAC name is ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane.

Molecular Properties

Compound Nameethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane
PubChem CID142385980
Molecular FormulaC14H37NO3
Molecular Weight267.45 g/mol
Exact Mass267.28
IUPAC Nameethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane
SMILESCC.CCC.COCCOCCOCCCCN.[H][H]
InChIInChI=1S/C9H21NO3.C3H8.C2H6.H2/c1-11-6-7-13-9-8-12-5-3-2-4-10;1-3-2;1-2;/h2-10H2,1H3;3H2,1-2H3;1-2H3;1H
InChIKeyRFDGYLSQSRWGJT-UHFFFAOYSA-N
XLogP3.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 53.09
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

6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
1,8-bis(2-methoxyethoxy)octane
CID 143118909

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane?
The IUPAC name of ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane (CID 142385980) is ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane.
What is the SMILES notation for ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane?
The canonical SMILES for ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane is CC.CCC.COCCOCCOCCCCN.[H][H].
What is the InChIKey of ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane?
The InChIKey is RFDGYLSQSRWGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3.C3H8.C2H6.H2/c1-11-6-7-13-9-8-12-5-3-2-4-10;1-3-2;1-2;/h2-10H2,1H3;3H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane?
ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane has a molecular weight of 267.45 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane is sourced from PubChem (CID 142385980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).