2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

C13H21N3 — CID 106895331

IUPAC2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1cccnn1
InChIInChI=1S/C13H21N3/c1-13(2)8-4-3-7-12(13)14-10-11-6-5-9-15-16-11/h5-6,9,12,14H,3-4,7-8,10H2,1-2H3
InChIKeyDQTNAQVCHUNASV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds3

About 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 106895331) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
PubChem CID106895331
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1cccnn1
InChIInChI=1S/C13H21N3/c1-13(2)8-4-3-7-12(13)14-10-11-6-5-9-15-16-11/h5-6,9,12,14H,3-4,7-8,10H2,1-2H3
InChIKeyDQTNAQVCHUNASV-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(pyridazin-3-ylmethylamino)cyclobutan-1-ol
CID 106895006
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 79861656
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 79870597
3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106834128
3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106833983
2,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
CID 79831028
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 79861658
N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861979
3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106894953

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (CID 106895331) is 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is CC1(C)CCCCC1NCc1cccnn1.
What is the InChIKey of 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is DQTNAQVCHUNASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)8-4-3-7-12(13)14-10-11-6-5-9-15-16-11/h5-6,9,12,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106895331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).