5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine

C15H19N3O — CID 104533818

IUPAC5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C15H19N3O/c1-2-17-12-8-14(10-16-9-12)18(13-5-6-13)11-15-4-3-7-19-15/h3-4,7-10,13,17H,2,5-6,11H2,1H3
InChIKeyQPMQIHBALFHJBA-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.28
Rot. Bonds6

About 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine

5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine (PubChem CID 104533818) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
PubChem CID104533818
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C15H19N3O/c1-2-17-12-8-14(10-16-9-12)18(13-5-6-13)11-15-4-3-7-19-15/h3-4,7-10,13,17H,2,5-6,11H2,1H3
InChIKeyQPMQIHBALFHJBA-UHFFFAOYSA-N
XLogP3.28
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
6-(1-aminopropyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 115939467
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81253260
6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
CID 66466642
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80789824
5-bromo-4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80790008
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80789459
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine (CID 104533818) is 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine is CCNc1cncc(N(Cc2ccco2)C2CC2)c1.
What is the InChIKey of 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine?
The InChIKey is QPMQIHBALFHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-17-12-8-14(10-16-9-12)18(13-5-6-13)11-15-4-3-7-19-15/h3-4,7-10,13,17H,2,5-6,11H2,1H3.
What are the key properties of 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine?
5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104533818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).