N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine

C11H21N3 — CID 144808668

IUPACN'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine
SMILESCCN(C)CCNC1=CC[C@@H](C)C=N1
InChIInChI=1S/C11H21N3/c1-4-14(3)8-7-12-11-6-5-10(2)9-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyJJBRMOMEGISNCE-SNVBAGLBSA-N
MW195.31 g/mol
LogP1.48
Rot. Bonds5

About N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine (PubChem CID 144808668) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine
PubChem CID144808668
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine
SMILESCCN(C)CCNC1=CC[C@@H](C)C=N1
InChIInChI=1S/C11H21N3/c1-4-14(3)8-7-12-11-6-5-10(2)9-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyJJBRMOMEGISNCE-SNVBAGLBSA-N
XLogP1.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine (CID 144808668) is N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine is CCN(C)CCNC1=CC[C@@H](C)C=N1.
What is the InChIKey of N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine?
The InChIKey is JJBRMOMEGISNCE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-14(3)8-7-12-11-6-5-10(2)9-13-11/h6,9-10,12H,4-5,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[(3R)-3-methyl-3,4-dihydropyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 144808668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).