N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine

C13H21N3O — CID 82732511

IUPACN-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-10-12(5-7-17-10)16(2)13(8-14)11-4-3-6-15-9-11/h3-4,6,9-10,12-13H,5,7-8,14H2,1-2H3
InChIKeyRRPZAMOXTVCYMA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine

N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 82732511) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID82732511
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-10-12(5-7-17-10)16(2)13(8-14)11-4-3-6-15-9-11/h3-4,6,9-10,12-13H,5,7-8,14H2,1-2H3
InChIKeyRRPZAMOXTVCYMA-UHFFFAOYSA-N
XLogP1.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
N-methyl-N-(2-methyloxolan-3-yl)-1-naphthalen-2-ylethane-1,2-diamine
CID 82732716
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82734575
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114843364
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine (CID 82732511) is N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine is CC1OCCC1N(C)C(CN)c1cccnc1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is RRPZAMOXTVCYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-12(5-7-17-10)16(2)13(8-14)11-4-3-6-15-9-11/h3-4,6,9-10,12-13H,5,7-8,14H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine?
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 82732511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).