2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine

C11H19N3 — CID 112708855

IUPAC2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
SMILESCC(CN)N(C)CCc1cccnc1
InChIInChI=1S/C11H19N3/c1-10(8-12)14(2)7-5-11-4-3-6-13-9-11/h3-4,6,9-10H,5,7-8,12H2,1-2H3
InChIKeyUHPUOLLPEOKZCX-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.90
Rot. Bonds5

About 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine

2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine (PubChem CID 112708855) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
PubChem CID112708855
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
SMILESCC(CN)N(C)CCc1cccnc1
InChIInChI=1S/C11H19N3/c1-10(8-12)14(2)7-5-11-4-3-6-13-9-11/h3-4,6,9-10H,5,7-8,12H2,1-2H3
InChIKeyUHPUOLLPEOKZCX-UHFFFAOYSA-N
XLogP0.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
2-N-methyl-2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 117040198
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
3-[ethyl(2-pyridin-3-ylethyl)amino]propanethioamide
CID 63264785

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine (CID 112708855) is 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine is CC(CN)N(C)CCc1cccnc1.
What is the InChIKey of 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine?
The InChIKey is UHPUOLLPEOKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(8-12)14(2)7-5-11-4-3-6-13-9-11/h3-4,6,9-10H,5,7-8,12H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine?
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 112708855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).