1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine

C14H33N3O — CID 163989372

IUPAC1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine
SMILESCNC(C)(C)CCCN(C)CCOCCN(C)C
InChIInChI=1S/C14H33N3O/c1-14(2,15-3)8-7-9-17(6)11-13-18-12-10-16(4)5/h15H,7-13H2,1-6H3
InChIKeyTZFWVTORXPRHAW-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.27
Rot. Bonds11

About 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine

1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine (PubChem CID 163989372) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine
PubChem CID163989372
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine
SMILESCNC(C)(C)CCCN(C)CCOCCN(C)C
InChIInChI=1S/C14H33N3O/c1-14(2,15-3)8-7-9-17(6)11-13-18-12-10-16(4)5/h15H,7-13H2,1-6H3
InChIKeyTZFWVTORXPRHAW-UHFFFAOYSA-N
XLogP1.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-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

2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699930
5-[2-methoxyethyl(methyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825401
5-ethoxy-N,2-dimethylpentan-2-amine
CID 135220051
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine
CID 156656248
N-alumanyl-3-[2-(dimethylamino)ethoxy]-N-methylpropan-1-amine
CID 156656265
N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine
CID 159941640
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(methylamino)butan-1-ol
CID 81064710
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
CID 114243028

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine?
The IUPAC name of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine (CID 163989372) is 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine?
The canonical SMILES for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine is CNC(C)(C)CCCN(C)CCOCCN(C)C.
What is the InChIKey of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine?
The InChIKey is TZFWVTORXPRHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O/c1-14(2,15-3)8-7-9-17(6)11-13-18-12-10-16(4)5/h15H,7-13H2,1-6H3.
What are the key properties of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine?
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine has a molecular weight of 259.44 g/mol, XLogP of 1.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-N,4-N,4-trimethylpentane-1,4-diamine is sourced from PubChem (CID 163989372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).