1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine

C12H30N4 — CID 22572098

IUPAC1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine
SMILESCC(N(C)C)N(C(C)N(C)C)C(C)N(C)C
InChIInChI=1S/C12H30N4/c1-10(13(4)5)16(11(2)14(6)7)12(3)15(8)9/h10-12H,1-9H3
InChIKeyCGOFNHFVWZVEBG-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.01
Rot. Bonds6

About 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine

1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine (PubChem CID 22572098) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine
PubChem CID22572098
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine
SMILESCC(N(C)C)N(C(C)N(C)C)C(C)N(C)C
InChIInChI=1S/C12H30N4/c1-10(13(4)5)16(11(2)14(6)7)12(3)15(8)9/h10-12H,1-9H3
InChIKeyCGOFNHFVWZVEBG-UHFFFAOYSA-N
XLogP1.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine?
The IUPAC name of 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine (CID 22572098) is 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine is CC(N(C)C)N(C(C)N(C)C)C(C)N(C)C.
What is the InChIKey of 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine?
The InChIKey is CGOFNHFVWZVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-10(13(4)5)16(11(2)14(6)7)12(3)15(8)9/h10-12H,1-9H3.
What are the key properties of 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine?
1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine is sourced from PubChem (CID 22572098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).