N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine

C16H36N2O — CID 55072208

IUPACN'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
SMILESCCC(CC)N(CCCCNCC(C)C)CCOC
InChIInChI=1S/C16H36N2O/c1-6-16(7-2)18(12-13-19-5)11-9-8-10-17-14-15(3)4/h15-17H,6-14H2,1-5H3
InChIKeyIFHZWBKCVJZYLQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds13

About N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine

N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine (PubChem CID 55072208) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
PubChem CID55072208
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
SMILESCCC(CC)N(CCCCNCC(C)C)CCOC
InChIInChI=1S/C16H36N2O/c1-6-16(7-2)18(12-13-19-5)11-9-8-10-17-14-15(3)4/h15-17H,6-14H2,1-5H3
InChIKeyIFHZWBKCVJZYLQ-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine (CID 55072208) is N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine is CCC(CC)N(CCCCNCC(C)C)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine?
The InChIKey is IFHZWBKCVJZYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-6-16(7-2)18(12-13-19-5)11-9-8-10-17-14-15(3)4/h15-17H,6-14H2,1-5H3.
What are the key properties of N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine?
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine is sourced from PubChem (CID 55072208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).