4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine

C13H17N3 — CID 103000007

IUPAC4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
SMILESCC(C)N(C)c1ccnc2cc(N)ccc12
InChIInChI=1S/C13H17N3/c1-9(2)16(3)13-6-7-15-12-8-10(14)4-5-11(12)13/h4-9H,14H2,1-3H3
InChIKeyZESWSHQKCIFTMY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds2

About 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine

4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine (PubChem CID 103000007) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
PubChem CID103000007
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
SMILESCC(C)N(C)c1ccnc2cc(N)ccc12
InChIInChI=1S/C13H17N3/c1-9(2)16(3)13-6-7-15-12-8-10(14)4-5-11(12)13/h4-9H,14H2,1-3H3
InChIKeyZESWSHQKCIFTMY-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
CID 103000505
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000471
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
CID 103000432
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide
CID 103000785
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine (CID 103000007) is 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine is CC(C)N(C)c1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine?
The InChIKey is ZESWSHQKCIFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)16(3)13-6-7-15-12-8-10(14)4-5-11(12)13/h4-9H,14H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine?
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine is sourced from PubChem (CID 103000007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).