4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine

C14H32N2O — CID 82952231

IUPAC4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
SMILESCOCCN(C(C)C)C(C)CCCNC(C)C
InChIInChI=1S/C14H32N2O/c1-12(2)15-9-7-8-14(5)16(13(3)4)10-11-17-6/h12-15H,7-11H2,1-6H3
InChIKeyNEYFFKCWUJYCHO-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds10

About 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine

4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine (PubChem CID 82952231) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
PubChem CID82952231
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
SMILESCOCCN(C(C)C)C(C)CCCNC(C)C
InChIInChI=1S/C14H32N2O/c1-12(2)15-9-7-8-14(5)16(13(3)4)10-11-17-6/h12-15H,7-11H2,1-6H3
InChIKeyNEYFFKCWUJYCHO-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
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

3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
CID 82953440
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
CID 82949086
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357
4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 81067945
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine (CID 82952231) is 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine is COCCN(C(C)C)C(C)CCCNC(C)C.
What is the InChIKey of 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine?
The InChIKey is NEYFFKCWUJYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-12(2)15-9-7-8-14(5)16(13(3)4)10-11-17-6/h12-15H,7-11H2,1-6H3.
What are the key properties of 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine?
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 82952231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).