N-octan-2-ylpyridazin-3-amine

C12H21N3 — CID 62481019

IUPACN-octan-2-ylpyridazin-3-amine
SMILESCCCCCCC(C)Nc1cccnn1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-8-11(2)14-12-9-7-10-13-15-12/h7,9-11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyNMRQHDREMWMVIX-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.25
Rot. Bonds7

About N-octan-2-ylpyridazin-3-amine

N-octan-2-ylpyridazin-3-amine (PubChem CID 62481019) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-octan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-octan-2-ylpyridazin-3-amine
PubChem CID62481019
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-octan-2-ylpyridazin-3-amine
SMILESCCCCCCC(C)Nc1cccnn1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-8-11(2)14-12-9-7-10-13-15-12/h7,9-11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyNMRQHDREMWMVIX-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.25
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

6-chloro-N-octan-2-ylpyridazin-3-amine
CID 61479963
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304
N-(1-ethoxypropan-2-yl)pyridazin-3-amine
CID 62483257
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
N-heptan-2-yl-5-methylpyridazin-3-amine
CID 106549626
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030

Frequently Asked Questions

What is the IUPAC name of N-octan-2-ylpyridazin-3-amine?
The IUPAC name of N-octan-2-ylpyridazin-3-amine (CID 62481019) is N-octan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-octan-2-ylpyridazin-3-amine?
The canonical SMILES for N-octan-2-ylpyridazin-3-amine is CCCCCCC(C)Nc1cccnn1.
What is the InChIKey of N-octan-2-ylpyridazin-3-amine?
The InChIKey is NMRQHDREMWMVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-6-8-11(2)14-12-9-7-10-13-15-12/h7,9-11H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-octan-2-ylpyridazin-3-amine?
N-octan-2-ylpyridazin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-ylpyridazin-3-amine is sourced from PubChem (CID 62481019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).