N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine

C14H23N3 — CID 106936940

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESC=Cn1cc(CNC2CCCC(CC)C2)cn1
InChIInChI=1S/C14H23N3/c1-3-12-6-5-7-14(8-12)15-9-13-10-16-17(4-2)11-13/h4,10-12,14-15H,2-3,5-9H2,1H3
InChIKeyOLNGIERCVYUNRD-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 106936940) 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-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID106936940
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESC=Cn1cc(CNC2CCCC(CC)C2)cn1
InChIInChI=1S/C14H23N3/c1-3-12-6-5-7-14(8-12)15-9-13-10-16-17(4-2)11-13/h4,10-12,14-15H,2-3,5-9H2,1H3
InChIKeyOLNGIERCVYUNRD-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106936939
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 106936555
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
CID 103699250
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107095221
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine (CID 106936940) is N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine is C=Cn1cc(CNC2CCCC(CC)C2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is OLNGIERCVYUNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-12-6-5-7-14(8-12)15-9-13-10-16-17(4-2)11-13/h4,10-12,14-15H,2-3,5-9H2,1H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.04, 5 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-ethylcyclohexan-1-amine is sourced from PubChem (CID 106936940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).