1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H30N4 — CID 115762055

IUPAC1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCn1nccc1CNCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H30N4/c1-5-20-15(8-10-18-20)12-17-13-16(19(3)4)9-6-7-14(2)11-16/h8,10,14,17H,5-7,9,11-13H2,1-4H3
InChIKeyJKGAOWVDJKJOKZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds6

About 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 115762055) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID115762055
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCn1nccc1CNCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H30N4/c1-5-20-15(8-10-18-20)12-17-13-16(19(3)4)9-6-7-14(2)11-16/h8,10,14,17H,5-7,9,11-13H2,1-4H3
InChIKeyJKGAOWVDJKJOKZ-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

(1-cyclohexyl-1H-pyrazol-5-yl)methanamine
CID 105438405
1-(Cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396886
1-((1-Methyl-1H-pyrazol-3-yl)methyl)-1,8-diazaspiro[4.5]decane
CID 118739025
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730464
N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730746
N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747485
4-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
CID 61631778
N-methyl-4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
CID 61754874
N-ethyl-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
CID 61755274
N,4-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
CID 61755671
N,4-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
CID 61756075

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 115762055) is 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is CCn1nccc1CNCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is JKGAOWVDJKJOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-20-15(8-10-18-20)12-17-13-16(19(3)4)9-6-7-14(2)11-16/h8,10,14,17H,5-7,9,11-13H2,1-4H3.
What are the key properties of 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 115762055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).