N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C14H19N3O — CID 21563

IUPACN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccco1)c1ccccn1
InChIInChI=1S/C14H19N3O/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
InChIKeyLUQHAHRMUPOTQK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds6

About N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 21563) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID21563
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccco1)c1ccccn1
InChIInChI=1S/C14H19N3O/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
InChIKeyLUQHAHRMUPOTQK-UHFFFAOYSA-N
XLogP2.24
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Furfurylpyrrole
CID 15037
1-(5-Bromopyridin-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 978178
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-[(E)-(5-methylfuran-2-yl)methylidene]-4-(pyridin-2-yl)piperazin-1-amine
CID 6885660
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24251169
N-(2-furylmethyl)-N'-(6-methylpyridin-2-yl)thiourea
CID 3342641
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 21563) is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)CCN(Cc1ccco1)c1ccccn1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is LUQHAHRMUPOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 21563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).