8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine

C15H17N5 — CID 103137557

IUPAC8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
SMILESCN(Cc1cnn(C)c1)c1ccc(N)c2ccncc12
InChIInChI=1S/C15H17N5/c1-19(9-11-7-18-20(2)10-11)15-4-3-14(16)12-5-6-17-8-13(12)15/h3-8,10H,9,16H2,1-2H3
InChIKeyIHUZBDXEHXKUFF-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.19
Rot. Bonds3

About 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine

8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine (PubChem CID 103137557) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
PubChem CID103137557
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
SMILESCN(Cc1cnn(C)c1)c1ccc(N)c2ccncc12
InChIInChI=1S/C15H17N5/c1-19(9-11-7-18-20(2)10-11)15-4-3-14(16)12-5-6-17-8-13(12)15/h3-8,10H,9,16H2,1-2H3
InChIKeyIHUZBDXEHXKUFF-UHFFFAOYSA-N
XLogP2.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81246090
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
CID 83060444
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
8-N-(2,2-difluoroethyl)-8-N-methylisoquinoline-5,8-diamine
CID 103139247
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 78934710
4-amino-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenesulfonamide
CID 82898113
methyl 4-amino-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoate
CID 82784994
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
CID 61442479

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine?
The IUPAC name of 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine (CID 103137557) is 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine is CN(Cc1cnn(C)c1)c1ccc(N)c2ccncc12.
What is the InChIKey of 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine?
The InChIKey is IHUZBDXEHXKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19(9-11-7-18-20(2)10-11)15-4-3-14(16)12-5-6-17-8-13(12)15/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine?
8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine is sourced from PubChem (CID 103137557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).