N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C10H23N3 — CID 28598734

IUPACN,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1CCN(C)CC1
InChIInChI=1S/C10H23N3/c1-11-6-9-13(3)10-4-7-12(2)8-5-10/h10-11H,4-9H2,1-3H3
InChIKeyBJHCSXTYIGIZKZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.23
Rot. Bonds4

About N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 28598734) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID28598734
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1CCN(C)CC1
InChIInChI=1S/C10H23N3/c1-11-6-9-13(3)10-4-7-12(2)8-5-10/h10-11H,4-9H2,1-3H3
InChIKeyBJHCSXTYIGIZKZ-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 28598734) is N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CNCCN(C)C1CCN(C)CC1.
What is the InChIKey of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is BJHCSXTYIGIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-11-6-9-13(3)10-4-7-12(2)8-5-10/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 28598734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).