N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine

C14H32N2O2 — CID 62557564

IUPACN'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNCCCOC)CCOC
InChIInChI=1S/C14H32N2O2/c1-5-14(6-2)16(11-13-18-4)10-9-15-8-7-12-17-3/h14-15H,5-13H2,1-4H3
InChIKeyCGVJTIVGFNGTJP-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.75
Rot. Bonds13

About N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine

N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 62557564) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID62557564
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC NameN'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNCCCOC)CCOC
InChIInChI=1S/C14H32N2O2/c1-5-14(6-2)16(11-13-18-4)10-9-15-8-7-12-17-3/h14-15H,5-13H2,1-4H3
InChIKeyCGVJTIVGFNGTJP-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.75
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,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
CID 63387675
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482603
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575773
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
CID 63657246

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine (CID 62557564) is N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCNCCCOC)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is CGVJTIVGFNGTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-5-14(6-2)16(11-13-18-4)10-9-15-8-7-12-17-3/h14-15H,5-13H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine?
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 1.75, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 62557564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).