N-heptan-2-yl-5-methylpyridazin-3-amine

C12H21N3 — CID 106549626

IUPACN-heptan-2-yl-5-methylpyridazin-3-amine
SMILESCCCCCC(C)Nc1cc(C)cnn1
InChIInChI=1S/C12H21N3/c1-4-5-6-7-11(3)14-12-8-10(2)9-13-15-12/h8-9,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyFHJPVDUDVLTECR-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.17
Rot. Bonds6

About N-heptan-2-yl-5-methylpyridazin-3-amine

N-heptan-2-yl-5-methylpyridazin-3-amine (PubChem CID 106549626) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-heptan-2-yl-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-heptan-2-yl-5-methylpyridazin-3-amine
PubChem CID106549626
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-heptan-2-yl-5-methylpyridazin-3-amine
SMILESCCCCCC(C)Nc1cc(C)cnn1
InChIInChI=1S/C12H21N3/c1-4-5-6-7-11(3)14-12-8-10(2)9-13-15-12/h8-9,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyFHJPVDUDVLTECR-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(5-methylhexan-2-yl)pyridazin-3-amine
CID 106549770
N-(1-ethoxypropan-2-yl)-5-methylpyridazin-3-amine
CID 106549675
5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780
N-octan-2-ylpyridazin-3-amine
CID 62481019
N-heptan-2-yl-5,6-dimethylpyrazin-2-amine
CID 114475537
3-[(5-methylpyridazin-3-yl)amino]pentan-1-ol
CID 106549992
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
N-heptan-2-ylcinnolin-4-amine
CID 63587119
N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
CID 106549868
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
CID 106549990
6-chloro-N-octan-2-ylpyridazin-3-amine
CID 61479963
4-methyl-2-N-(5-methylpyridazin-3-yl)pentane-1,2-diamine
CID 106550178

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-methylpyridazin-3-amine?
The IUPAC name of N-heptan-2-yl-5-methylpyridazin-3-amine (CID 106549626) is N-heptan-2-yl-5-methylpyridazin-3-amine.
What is the SMILES notation for N-heptan-2-yl-5-methylpyridazin-3-amine?
The canonical SMILES for N-heptan-2-yl-5-methylpyridazin-3-amine is CCCCCC(C)Nc1cc(C)cnn1.
What is the InChIKey of N-heptan-2-yl-5-methylpyridazin-3-amine?
The InChIKey is FHJPVDUDVLTECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-6-7-11(3)14-12-8-10(2)9-13-15-12/h8-9,11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-heptan-2-yl-5-methylpyridazin-3-amine?
N-heptan-2-yl-5-methylpyridazin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).