N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine

C13H21N3 — CID 125447897

IUPACN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1ccc(NC[C@H]2CC2(C)C)nn1
InChIInChI=1S/C13H21N3/c1-9(2)11-5-6-12(16-15-11)14-8-10-7-13(10,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyUOVDRGVXUBHAJG-SNVBAGLBSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds4

About N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine

N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine (PubChem CID 125447897) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine
PubChem CID125447897
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1ccc(NC[C@H]2CC2(C)C)nn1
InChIInChI=1S/C13H21N3/c1-9(2)11-5-6-12(16-15-11)14-8-10-7-13(10,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyUOVDRGVXUBHAJG-SNVBAGLBSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine (CID 125447897) is N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine is CC(C)c1ccc(NC[C@H]2CC2(C)C)nn1.
What is the InChIKey of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine?
The InChIKey is UOVDRGVXUBHAJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)11-5-6-12(16-15-11)14-8-10-7-13(10,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine?
N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 125447897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).