N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine

C13H24N4 — CID 43662371

IUPACN,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCc2ccn[nH]2)CCCCC1
InChIInChI=1S/C13H24N4/c1-17(2)13(7-4-3-5-8-13)11-14-10-12-6-9-15-16-12/h6,9,14H,3-5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyYSOZSYXZUPFACM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.76
Rot. Bonds5

About N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 43662371) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID43662371
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCc2ccn[nH]2)CCCCC1
InChIInChI=1S/C13H24N4/c1-17(2)13(7-4-3-5-8-13)11-14-10-12-6-9-15-16-12/h6,9,14H,3-5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyYSOZSYXZUPFACM-UHFFFAOYSA-N
XLogP1.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine (CID 43662371) is N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine is CN(C)C1(CNCc2ccn[nH]2)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is YSOZSYXZUPFACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-17(2)13(7-4-3-5-8-13)11-14-10-12-6-9-15-16-12/h6,9,14H,3-5,7-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1H-pyrazol-5-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).