N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C15H25N3O — CID 82835297

IUPACN-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)CCc2ccncc2)O1
InChIInChI=1S/C15H25N3O/c1-12-3-4-15(19-12)14(11-16)18(2)10-7-13-5-8-17-9-6-13/h5-6,8-9,12,14-15H,3-4,7,10-11,16H2,1-2H3
InChIKeyMUVIPEVICJMHIS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 82835297) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID82835297
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)CCc2ccncc2)O1
InChIInChI=1S/C15H25N3O/c1-12-3-4-15(19-12)14(11-16)18(2)10-7-13-5-8-17-9-6-13/h5-6,8-9,12,14-15H,3-4,7,10-11,16H2,1-2H3
InChIKeyMUVIPEVICJMHIS-UHFFFAOYSA-N
XLogP1.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 82836200
N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836511
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835107
N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836219
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 54945007
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 54945196
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835310
1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62427612
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 82835297) is N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CC1CCC(C(CN)N(C)CCc2ccncc2)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is MUVIPEVICJMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-3-4-15(19-12)14(11-16)18(2)10-7-13-5-8-17-9-6-13/h5-6,8-9,12,14-15H,3-4,7,10-11,16H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 263.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 82835297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).