N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C14H23N3 — CID 106936939

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESC=Cn1cc(CNC2CC(C)CC(C)C2)cn1
InChIInChI=1S/C14H23N3/c1-4-17-10-13(9-16-17)8-15-14-6-11(2)5-12(3)7-14/h4,9-12,14-15H,1,5-8H2,2-3H3
InChIKeyAWEAARMQQRRFMU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.90
Rot. Bonds4

About N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 106936939) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID106936939
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESC=Cn1cc(CNC2CC(C)CC(C)C2)cn1
InChIInChI=1S/C14H23N3/c1-4-17-10-13(9-16-17)8-15-14-6-11(2)5-12(3)7-14/h4,9-12,14-15H,1,5-8H2,2-3H3
InChIKeyAWEAARMQQRRFMU-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
CID 106936940
1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 106936555
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64722566
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107095221
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
CID 106936803
N-[(1-ethenylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106935342
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 106936939) is N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is C=Cn1cc(CNC2CC(C)CC(C)C2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is AWEAARMQQRRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-17-10-13(9-16-17)8-15-14-6-11(2)5-12(3)7-14/h4,9-12,14-15H,1,5-8H2,2-3H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106936939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).