N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine

C11H23N3 — CID 79508860

IUPACN',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCCCC1
InChIInChI=1S/C11H23N3/c1-3-14(4-2)10-9-13-11-7-5-6-8-12-11/h3-10H2,1-2H3,(H,12,13)
InChIKeyTWGOVPQWZKZIPP-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.50
Rot. Bonds5

About N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine

N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine (PubChem CID 79508860) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
PubChem CID79508860
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCCCC1
InChIInChI=1S/C11H23N3/c1-3-14(4-2)10-9-13-11-7-5-6-8-12-11/h3-10H2,1-2H3,(H,12,13)
InChIKeyTWGOVPQWZKZIPP-UHFFFAOYSA-N
XLogP1.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine (CID 79508860) is N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine is CCN(CC)CCNC1=NCCCC1.
What is the InChIKey of N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The InChIKey is TWGOVPQWZKZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-14(4-2)10-9-13-11-7-5-6-8-12-11/h3-10H2,1-2H3,(H,12,13).
What are the key properties of N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 79508860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).