N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

C11H18N4 — CID 112668996

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1nn(C)cc1CNC1=NCCCC1
InChIInChI=1S/C11H18N4/c1-9-10(8-15(2)14-9)7-13-11-5-3-4-6-12-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyKINYDKGPHZMOFX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds2

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 112668996) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID112668996
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1nn(C)cc1CNC1=NCCCC1
InChIInChI=1S/C11H18N4/c1-9-10(8-15(2)14-9)7-13-11-5-3-4-6-12-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyKINYDKGPHZMOFX-UHFFFAOYSA-N
XLogP1.40
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 112668996) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is Cc1nn(C)cc1CNC1=NCCCC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is KINYDKGPHZMOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-10(8-15(2)14-9)7-13-11-5-3-4-6-12-11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 206.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 112668996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).