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

C12H22N4 — CID 103568898

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2CCCCC2CN)cn1
InChIInChI=1S/C12H22N4/c1-16-9-12(8-15-16)14-7-11-5-3-2-4-10(11)6-13/h8-11,14H,2-7,13H2,1H3
InChIKeyLMFUKQOXHFENCR-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.60
Rot. Bonds4

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

N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine (PubChem CID 103568898) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
PubChem CID103568898
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2CCCCC2CN)cn1
InChIInChI=1S/C12H22N4/c1-16-9-12(8-15-16)14-7-11-5-3-2-4-10(11)6-13/h8-11,14H,2-7,13H2,1H3
InChIKeyLMFUKQOXHFENCR-UHFFFAOYSA-N
XLogP1.60
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568948
N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568739
1-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-amine
CID 155225172
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
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylpyrazol-4-amine
CID 103568795
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 102731415
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103019952
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine (CID 103568898) is N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine is Cn1cc(NCC2CCCCC2CN)cn1.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine?
The InChIKey is LMFUKQOXHFENCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16-9-12(8-15-16)14-7-11-5-3-2-4-10(11)6-13/h8-11,14H,2-7,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103568898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).