N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

C14H19N3O — CID 43563212

IUPACN-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2cccnc2)o1
InChIInChI=1S/C14H19N3O/c1-11-5-6-14(18-11)13(8-15)17(2)10-12-4-3-7-16-9-12/h3-7,9,13H,8,10,15H2,1-2H3
InChIKeyDGZCTEMTQKUZEG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43563212) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID43563212
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2cccnc2)o1
InChIInChI=1S/C14H19N3O/c1-11-5-6-14(18-11)13(8-15)17(2)10-12-4-3-7-16-9-12/h3-7,9,13H,8,10,15H2,1-2H3
InChIKeyDGZCTEMTQKUZEG-UHFFFAOYSA-N
XLogP2.11
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62085053
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
1-(3-bromothiophen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 115380316
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
2-N-methyl-4-methylsulfanyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 60811396
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 114453263
4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 106675556

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 43563212) is N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2cccnc2)o1.
What is the InChIKey of N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is DGZCTEMTQKUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-5-6-14(18-11)13(8-15)17(2)10-12-4-3-7-16-9-12/h3-7,9,13H,8,10,15H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43563212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).