N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

C14H25N3S — CID 103893990

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCCc1nn(C)cc1CNC1CCCC(SC)C1
InChIInChI=1S/C14H25N3S/c1-4-14-11(10-17(2)16-14)9-15-12-6-5-7-13(8-12)18-3/h10,12-13,15H,4-9H2,1-3H3
InChIKeyLMDQWJVFJWOETA-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.75
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 103893990) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID103893990
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCCc1nn(C)cc1CNC1CCCC(SC)C1
InChIInChI=1S/C14H25N3S/c1-4-14-11(10-17(2)16-14)9-15-12-6-5-7-13(8-12)18-3/h10,12-13,15H,4-9H2,1-3H3
InChIKeyLMDQWJVFJWOETA-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989278
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine (CID 103893990) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine is CCc1nn(C)cc1CNC1CCCC(SC)C1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is LMDQWJVFJWOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-14-11(10-17(2)16-14)9-15-12-6-5-7-13(8-12)18-3/h10,12-13,15H,4-9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103893990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).