N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine

C12H21N3 — CID 10998225

IUPACN',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1cccc(C)n1
InChIInChI=1S/C12H21N3/c1-4-15(5-2)10-9-13-12-8-6-7-11(3)14-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14)
InChIKeyLFSQILMNCXQNOL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds6

About N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine

N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 10998225) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID10998225
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1cccc(C)n1
InChIInChI=1S/C12H21N3/c1-4-15(5-2)10-9-13-12-8-6-7-11(3)14-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14)
InChIKeyLFSQILMNCXQNOL-UHFFFAOYSA-N
XLogP2.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
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-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine (CID 10998225) is N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine is CCN(CC)CCNc1cccc(C)n1.
What is the InChIKey of N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is LFSQILMNCXQNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15(5-2)10-9-13-12-8-6-7-11(3)14-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14).
What are the key properties of N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 10998225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).