4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine

C15H19N3O — CID 103963155

IUPAC4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC1CCCOC1
InChIInChI=1S/C15H19N3O/c16-13-9-17-14-6-2-1-5-12(14)15(13)18-8-11-4-3-7-19-10-11/h1-2,5-6,9,11H,3-4,7-8,10,16H2,(H,17,18)
InChIKeyIFYLWKWGGFQHAD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.66
Rot. Bonds3

About 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine

4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine (PubChem CID 103963155) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
PubChem CID103963155
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC1CCCOC1
InChIInChI=1S/C15H19N3O/c16-13-9-17-14-6-2-1-5-12(14)15(13)18-8-11-4-3-7-19-10-11/h1-2,5-6,9,11H,3-4,7-8,10,16H2,(H,17,18)
InChIKeyIFYLWKWGGFQHAD-UHFFFAOYSA-N
XLogP2.66
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile
CID 64898322
2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103963415
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
N-(oxan-3-ylmethyl)quinazolin-2-amine
CID 114788931
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
N-(oxan-3-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 103204139
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine (CID 103963155) is 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCC1CCCOC1.
What is the InChIKey of 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine?
The InChIKey is IFYLWKWGGFQHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-9-17-14-6-2-1-5-12(14)15(13)18-8-11-4-3-7-19-10-11/h1-2,5-6,9,11H,3-4,7-8,10,16H2,(H,17,18).
What are the key properties of 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine?
4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).