3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine

C16H39N5 — CID 18541605

IUPAC3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine
SMILESCN(C)CCNCC(CCN(C)C)(CCN(C)C)N(C)C
InChIInChI=1S/C16H39N5/c1-18(2)12-9-16(21(7)8,10-13-19(3)4)15-17-11-14-20(5)6/h17H,9-15H2,1-8H3
InChIKeyVADKVAONKAYUEF-UHFFFAOYSA-N
MW301.52 g/mol
LogP0.34
Rot. Bonds12

About 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine

3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine (PubChem CID 18541605) has the molecular formula C16H39N5 and a molecular weight of 301.52 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine
PubChem CID18541605
Molecular FormulaC16H39N5
Molecular Weight301.52 g/mol
Exact Mass301.32
IUPAC Name3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine
SMILESCN(C)CCNCC(CCN(C)C)(CCN(C)C)N(C)C
InChIInChI=1S/C16H39N5/c1-18(2)12-9-16(21(7)8,10-13-19(3)4)15-17-11-14-20(5)6/h17H,9-15H2,1-8H3
InChIKeyVADKVAONKAYUEF-UHFFFAOYSA-N
XLogP0.34
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine?
The IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine (CID 18541605) is 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine.
What is the SMILES notation for 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine?
The canonical SMILES for 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine is CN(C)CCNCC(CCN(C)C)(CCN(C)C)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine?
The InChIKey is VADKVAONKAYUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39N5/c1-18(2)12-9-16(21(7)8,10-13-19(3)4)15-17-11-14-20(5)6/h17H,9-15H2,1-8H3.
What are the key properties of 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine?
3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine has a molecular weight of 301.52 g/mol, XLogP of 0.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine is sourced from PubChem (CID 18541605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).