N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine

C8H21N3 — CID 18728195

IUPACN'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CN(C)C
InChIInChI=1S/C8H21N3/c1-9(2)6-7-11(5)8-10(3)4/h6-8H2,1-5H3
InChIKeyWUXCEHJJNXXSAR-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.00
Rot. Bonds5

About N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 18728195) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID18728195
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CN(C)C
InChIInChI=1S/C8H21N3/c1-9(2)6-7-11(5)8-10(3)4/h6-8H2,1-5H3
InChIKeyWUXCEHJJNXXSAR-UHFFFAOYSA-N
XLogP-0.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 18728195) is N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CN(C)C.
What is the InChIKey of N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is WUXCEHJJNXXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-9(2)6-7-11(5)8-10(3)4/h6-8H2,1-5H3.
What are the key properties of N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 159.28 g/mol, XLogP of -0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(dimethylamino)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 18728195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).