N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

C17H31N3 — CID 105154418

IUPACN-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1C)C1CCC(C)C(C)C1
InChIInChI=1S/C17H31N3/c1-6-9-18-17(16-11-19-20(5)14(16)4)15-8-7-12(2)13(3)10-15/h11-13,15,17-18H,6-10H2,1-5H3
InChIKeyCYKBHOPPRPMKEH-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.84
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105154418) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105154418
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1C)C1CCC(C)C(C)C1
InChIInChI=1S/C17H31N3/c1-6-9-18-17(16-11-19-20(5)14(16)4)15-8-7-12(2)13(3)10-15/h11-13,15,17-18H,6-10H2,1-5H3
InChIKeyCYKBHOPPRPMKEH-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105154526
N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105188964
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104989307
N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105154525
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[(3-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989523
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105154418) is N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1C)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is CYKBHOPPRPMKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-9-18-17(16-11-19-20(5)14(16)4)15-8-7-12(2)13(3)10-15/h11-13,15,17-18H,6-10H2,1-5H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105154418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).