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

C15H34N2O — CID 62431378

IUPACN-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCOCCN(CCCCNC(C)(C)C)CC(C)C
InChIInChI=1S/C15H34N2O/c1-14(2)13-17(11-12-18-6)10-8-7-9-16-15(3,4)5/h14,16H,7-13H2,1-6H3
InChIKeyLLMXCZDKEYVRHU-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.76
Rot. Bonds10

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

N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 62431378) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID62431378
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCOCCN(CCCCNC(C)(C)C)CC(C)C
InChIInChI=1S/C15H34N2O/c1-14(2)13-17(11-12-18-6)10-8-7-9-16-15(3,4)5/h14,16H,7-13H2,1-6H3
InChIKeyLLMXCZDKEYVRHU-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)pentane-1,5-diamine
CID 62431554
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429784
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
CID 63584308
1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
CID 62624635
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine (CID 62431378) is N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine is COCCN(CCCCNC(C)(C)C)CC(C)C.
What is the InChIKey of N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is LLMXCZDKEYVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-14(2)13-17(11-12-18-6)10-8-7-9-16-15(3,4)5/h14,16H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine?
N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62431378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).