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

C12H27N3 — CID 783847

IUPACN'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCN(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-5-15(11-10-13(2)3)12-6-8-14(4)9-7-12/h12H,5-11H2,1-4H3
InChIKeyKXXDFGKDUSNXPU-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.96
Rot. Bonds5

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

N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 783847) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID783847
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCN(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-5-15(11-10-13(2)3)12-6-8-14(4)9-7-12/h12H,5-11H2,1-4H3
InChIKeyKXXDFGKDUSNXPU-UHFFFAOYSA-N
XLogP0.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 783847) is N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CCN(CCN(C)C)C1CCN(C)CC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is KXXDFGKDUSNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-15(11-10-13(2)3)12-6-8-14(4)9-7-12/h12H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 783847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).