N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine

C11H20N4 — CID 103568948

IUPACN-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2CCCCC2N)cn1
InChIInChI=1S/C11H20N4/c1-15-8-10(7-14-15)13-6-9-4-2-3-5-11(9)12/h7-9,11,13H,2-6,12H2,1H3
InChIKeyVVMIISDECSGARC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.35
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine

N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 103568948) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
PubChem CID103568948
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2CCCCC2N)cn1
InChIInChI=1S/C11H20N4/c1-15-8-10(7-14-15)13-6-9-4-2-3-5-11(9)12/h7-9,11,13H,2-6,12H2,1H3
InChIKeyVVMIISDECSGARC-UHFFFAOYSA-N
XLogP1.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
CID 103568898
N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568739
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
1-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-amine
CID 155225172
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine
CID 64926899
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
N-(2-ethylcyclopentyl)-1-methylpyrazol-4-amine
CID 115903312
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
N-[[4-(ethylamino)oxolan-3-yl]methyl]-1-methylpyrazol-4-amine
CID 103568788
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 102731415
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine (CID 103568948) is N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCC2CCCCC2N)cn1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is VVMIISDECSGARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-8-10(7-14-15)13-6-9-4-2-3-5-11(9)12/h7-9,11,13H,2-6,12H2,1H3.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine?
N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103568948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).