N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C11H19N3 — CID 112649922

IUPACN'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1ncccc1C
InChIInChI=1S/C11H19N3/c1-3-14(8-6-12)9-11-10(2)5-4-7-13-11/h4-5,7H,3,6,8-9,12H2,1-2H3
InChIKeyTYPCRKDQAIRJOU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.17
Rot. Bonds5

About N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 112649922) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID112649922
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1ncccc1C
InChIInChI=1S/C11H19N3/c1-3-14(8-6-12)9-11-10(2)5-4-7-13-11/h4-5,7H,3,6,8-9,12H2,1-2H3
InChIKeyTYPCRKDQAIRJOU-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
CID 11370051
N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 115982035
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698388
2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
CID 112649945
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-prop-2-enoxy-2-pyridinyl)methyl]butane-1,4-diamine
CID 11267821
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
N'-(isoquinolin-3-ylmethyl)-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11256122
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine
CID 11474784
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(1-phenylimidazol-2-yl)methyl]butane-1,4-diamine
CID 11198881

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 112649922) is N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1ncccc1C.
What is the InChIKey of N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is TYPCRKDQAIRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14(8-6-12)9-11-10(2)5-4-7-13-11/h4-5,7H,3,6,8-9,12H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 112649922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).