ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine

C17H40N2O2 — CID 164907050

IUPACethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC.CCCCCOCCOCCNCCN(C)C(C)C
InChIInChI=1S/C15H34N2O2.C2H6/c1-5-6-7-11-18-13-14-19-12-9-16-8-10-17(4)15(2)3;1-2/h15-16H,5-14H2,1-4H3;1-2H3
InChIKeyDNQJRLYCSWMJMW-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.17
Rot. Bonds14

About ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine

ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 164907050) has the molecular formula C17H40N2O2 and a molecular weight of 304.52 g/mol. Its IUPAC name is ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID164907050
Molecular FormulaC17H40N2O2
Molecular Weight304.52 g/mol
Exact Mass304.31
IUPAC Nameethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC.CCCCCOCCOCCNCCN(C)C(C)C
InChIInChI=1S/C15H34N2O2.C2H6/c1-5-6-7-11-18-13-14-19-12-9-16-8-10-17(4)15(2)3;1-2/h15-16H,5-14H2,1-4H3;1-2H3
InChIKeyDNQJRLYCSWMJMW-UHFFFAOYSA-N
XLogP3.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.17
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

N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 172512750
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103409489
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
N-[2-(3-methoxypropoxy)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045565
N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 62559268
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 164907050) is ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC.CCCCCOCCOCCNCCN(C)C(C)C.
What is the InChIKey of ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DNQJRLYCSWMJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2.C2H6/c1-5-6-7-11-18-13-14-19-12-9-16-8-10-17(4)15(2)3;1-2/h15-16H,5-14H2,1-4H3;1-2H3.
What are the key properties of ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine?
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 304.52 g/mol, XLogP of 3.17, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 164907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).