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6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine

C25H55N3 — CID 155130615

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine
SMILESCCCC(CC(C)(C)CN)(CC(C)(C)CC(C)(C)N)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C25H55N3/c1-12-13-25(18-22(6,7)19-26,16-20(2,3)14-23(8,9)27)17-21(4,5)15-24(10,11)28/h12-19,26-28H2,1-11H3
InChIKeyCLYRLDRHGFUUGM-UHFFFAOYSA-N
MW397.74 g/mol
LogP6.24
Rot. Bonds13

About 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine

6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine (PubChem CID 155130615) has the molecular formula C25H55N3 and a molecular weight of 397.74 g/mol. Its IUPAC name is 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine.

Molecular Properties

Compound Name6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine
PubChem CID155130615
Molecular FormulaC25H55N3
Molecular Weight397.74 g/mol
Exact Mass397.44
IUPAC Name6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine
SMILESCCCC(CC(C)(C)CN)(CC(C)(C)CC(C)(C)N)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C25H55N3/c1-12-13-25(18-22(6,7)19-26,16-20(2,3)14-23(8,9)27)17-21(4,5)15-24(10,11)28/h12-19,26-28H2,1-11H3
InChIKeyCLYRLDRHGFUUGM-UHFFFAOYSA-N
XLogP6.24
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.74
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine?
The IUPAC name of 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine (CID 155130615) is 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine.
What is the SMILES notation for 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine?
The canonical SMILES for 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine is CCCC(CC(C)(C)CN)(CC(C)(C)CC(C)(C)N)CC(C)(C)CC(C)(C)N.
What is the InChIKey of 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine?
The InChIKey is CLYRLDRHGFUUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55N3/c1-12-13-25(18-22(6,7)19-26,16-20(2,3)14-23(8,9)27)17-21(4,5)15-24(10,11)28/h12-19,26-28H2,1-11H3.
What are the key properties of 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine?
6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine has a molecular weight of 397.74 g/mol, XLogP of 6.24, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine is sourced from PubChem (CID 155130615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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