2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine

C26H64N8 — CID 160709278

IUPAC2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(CN(C)C)(CN(C)C)CN(C)C.CN(C)CC(CN(C)C)(CN(C)C)CN(C)C
InChIInChI=1S/2C13H32N4/c2*1-14(2)9-13(10-15(3)4,11-16(5)6)12-17(7)8/h2*9-12H2,1-8H3
InChIKeyRRQGADQEDJICQV-UHFFFAOYSA-N
MW488.85 g/mol
LogP0.44
Rot. Bonds16

About 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine

2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine (PubChem CID 160709278) has the molecular formula C26H64N8 and a molecular weight of 488.85 g/mol. Its IUPAC name is 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
PubChem CID160709278
Molecular FormulaC26H64N8
Molecular Weight488.85 g/mol
Exact Mass488.53
IUPAC Name2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(CN(C)C)(CN(C)C)CN(C)C.CN(C)CC(CN(C)C)(CN(C)C)CN(C)C
InChIInChI=1S/2C13H32N4/c2*1-14(2)9-13(10-15(3)4,11-16(5)6)12-17(7)8/h2*9-12H2,1-8H3
InChIKeyRRQGADQEDJICQV-UHFFFAOYSA-N
XLogP0.44
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.85
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine?
The IUPAC name of 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine (CID 160709278) is 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine.
What is the SMILES notation for 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine?
The canonical SMILES for 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine is CN(C)CC(CN(C)C)(CN(C)C)CN(C)C.CN(C)CC(CN(C)C)(CN(C)C)CN(C)C.
What is the InChIKey of 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine?
The InChIKey is RRQGADQEDJICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H32N4/c2*1-14(2)9-13(10-15(3)4,11-16(5)6)12-17(7)8/h2*9-12H2,1-8H3.
What are the key properties of 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine?
2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine has a molecular weight of 488.85 g/mol, XLogP of 0.44, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 160709278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).