4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine

C15H19N3O — CID 103000505

IUPAC4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
SMILESCN(c1ccnc2cc(N)ccc12)C1CCOCC1
InChIInChI=1S/C15H19N3O/c1-18(12-5-8-19-9-6-12)15-4-7-17-14-10-11(16)2-3-13(14)15/h2-4,7,10,12H,5-6,8-9,16H2,1H3
InChIKeyHTBMVIMORQZNPO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds2

About 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine

4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine (PubChem CID 103000505) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
PubChem CID103000505
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
SMILESCN(c1ccnc2cc(N)ccc12)C1CCOCC1
InChIInChI=1S/C15H19N3O/c1-18(12-5-8-19-9-6-12)15-4-7-17-14-10-11(16)2-3-13(14)15/h2-4,7,10,12H,5-6,8-9,16H2,1H3
InChIKeyHTBMVIMORQZNPO-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
CID 103001497
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
CID 103000432
4-iodo-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 66064700
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000471
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
3-fluoro-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 60790197
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 62282950
N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
CID 55130920

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine (CID 103000505) is 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine is CN(c1ccnc2cc(N)ccc12)C1CCOCC1.
What is the InChIKey of 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine?
The InChIKey is HTBMVIMORQZNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(12-5-8-19-9-6-12)15-4-7-17-14-10-11(16)2-3-13(14)15/h2-4,7,10,12H,5-6,8-9,16H2,1H3.
What are the key properties of 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine?
4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine is sourced from PubChem (CID 103000505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).