1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine

C9H23N3 — CID 63693791

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)CCN(C)C
InChIInChI=1S/C9H23N3/c1-9(10-2)8-12(5)7-6-11(3)4/h9-10H,6-8H2,1-5H3
InChIKeyDOWFQHQLDJGEAV-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.09
Rot. Bonds6

About 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 63693791) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID63693791
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)CCN(C)C
InChIInChI=1S/C9H23N3/c1-9(10-2)8-12(5)7-6-11(3)4/h9-10H,6-8H2,1-5H3
InChIKeyDOWFQHQLDJGEAV-UHFFFAOYSA-N
XLogP0.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine (CID 63693791) is 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine is CNC(C)CN(C)CCN(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is DOWFQHQLDJGEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-9(10-2)8-12(5)7-6-11(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 63693791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).