2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine

C13H24N4 — CID 62617070

IUPAC2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCN(Cc1cnn(C)c1)CC1CCCCC1N
InChIInChI=1S/C13H24N4/c1-16(8-11-7-15-17(2)9-11)10-12-5-3-4-6-13(12)14/h7,9,12-13H,3-6,8,10,14H2,1-2H3
InChIKeyDVSPGHNTIAQGLT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.37
Rot. Bonds4

About 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 62617070) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID62617070
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCN(Cc1cnn(C)c1)CC1CCCCC1N
InChIInChI=1S/C13H24N4/c1-16(8-11-7-15-17(2)9-11)10-12-5-3-4-6-13(12)14/h7,9,12-13H,3-6,8,10,14H2,1-2H3
InChIKeyDVSPGHNTIAQGLT-UHFFFAOYSA-N
XLogP1.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
CID 62610535
2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 102627735
N-ethyl-2,2-dimethyl-6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79842887
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615408
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703993
N,2,2-trimethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79866875
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 62617070) is 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine is CN(Cc1cnn(C)c1)CC1CCCCC1N.
What is the InChIKey of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is DVSPGHNTIAQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(8-11-7-15-17(2)9-11)10-12-5-3-4-6-13(12)14/h7,9,12-13H,3-6,8,10,14H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62617070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).