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

C15H34N2O2 — CID 55087436

IUPACN,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
SMILESCCC(CC)N(CCCCNCCOC)CCOC
InChIInChI=1S/C15H34N2O2/c1-5-15(6-2)17(12-14-19-4)11-8-7-9-16-10-13-18-3/h15-16H,5-14H2,1-4H3
InChIKeyYIBKKRWSJIHYIU-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.14
Rot. Bonds14

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

N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine (PubChem CID 55087436) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
PubChem CID55087436
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC NameN,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
SMILESCCC(CC)N(CCCCNCCOC)CCOC
InChIInChI=1S/C15H34N2O2/c1-5-15(6-2)17(12-14-19-4)11-8-7-9-16-10-13-18-3/h15-16H,5-14H2,1-4H3
InChIKeyYIBKKRWSJIHYIU-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.14
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'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
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
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-ethyl-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62569840
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
CID 63387675
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
CID 62426328

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine?
The IUPAC name of N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine (CID 55087436) is N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine.
What is the SMILES notation for N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine?
The canonical SMILES for N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine is CCC(CC)N(CCCCNCCOC)CCOC.
What is the InChIKey of N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine?
The InChIKey is YIBKKRWSJIHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-5-15(6-2)17(12-14-19-4)11-8-7-9-16-10-13-18-3/h15-16H,5-14H2,1-4H3.
What are the key properties of N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine?
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine has a molecular weight of 274.45 g/mol, XLogP of 2.14, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine is sourced from PubChem (CID 55087436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).