N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine

C14H32N2O2 — CID 55072636

IUPACN',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
SMILESCOCCN(CCCCNCC(C)C)CCOC
InChIInChI=1S/C14H32N2O2/c1-14(2)13-15-7-5-6-8-16(9-11-17-3)10-12-18-4/h14-15H,5-13H2,1-4H3
InChIKeyPIYUYIPAQKPBRY-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.61
Rot. Bonds13

About N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine

N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine (PubChem CID 55072636) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
PubChem CID55072636
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC NameN',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
SMILESCOCCN(CCCCNCC(C)C)CCOC
InChIInChI=1S/C14H32N2O2/c1-14(2)13-15-7-5-6-8-16(9-11-17-3)10-12-18-4/h14-15H,5-13H2,1-4H3
InChIKeyPIYUYIPAQKPBRY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-ethyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)pentane-1,5-diamine
CID 62431554
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine (CID 55072636) is N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine is COCCN(CCCCNCC(C)C)CCOC.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is PIYUYIPAQKPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-14(2)13-15-7-5-6-8-16(9-11-17-3)10-12-18-4/h14-15H,5-13H2,1-4H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine?
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 260.42 g/mol, XLogP of 1.61, 13 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-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 55072636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).