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

C9H19N3 — CID 79508863

IUPACN',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCNC1=NCCCC1
InChIInChI=1S/C9H19N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-8H2,1-2H3,(H,10,11)
InChIKeySGEOZWOXXCKNCW-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.72
Rot. Bonds3

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

N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine (PubChem CID 79508863) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
PubChem CID79508863
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCNC1=NCCCC1
InChIInChI=1S/C9H19N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-8H2,1-2H3,(H,10,11)
InChIKeySGEOZWOXXCKNCW-UHFFFAOYSA-N
XLogP0.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.72
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-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine (CID 79508863) is N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine is CN(C)CCNC1=NCCCC1.
What is the InChIKey of N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
The InChIKey is SGEOZWOXXCKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-8H2,1-2H3,(H,10,11).
What are the key properties of N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 79508863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).