N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine

C16H36N2O2 — CID 172512750

IUPACN'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CCCOCCOCCNCCN(C)C(C)C
InChIInChI=1S/C16H36N2O2/c1-15(2)7-6-11-19-13-14-20-12-9-17-8-10-18(5)16(3)4/h15-17H,6-14H2,1-5H3
InChIKeyWBZQCWARUBNSJD-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.39
Rot. Bonds14

About N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 172512750) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID172512750
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC NameN'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CCCOCCOCCNCCN(C)C(C)C
InChIInChI=1S/C16H36N2O2/c1-15(2)7-6-11-19-13-14-20-12-9-17-8-10-18(5)16(3)4/h15-17H,6-14H2,1-5H3
InChIKeyWBZQCWARUBNSJD-UHFFFAOYSA-N
XLogP2.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.39
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-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 164907050
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103409489
N-[2-(3-methoxypropoxy)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045565
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 172512750) is N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)CCCOCCOCCNCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WBZQCWARUBNSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-15(2)7-6-11-19-13-14-20-12-9-17-8-10-18(5)16(3)4/h15-17H,6-14H2,1-5H3.
What are the key properties of N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 2.39, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 172512750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).