N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine

C16H29N3 — CID 81028153

IUPACN-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccnn1CCC
InChIInChI=1S/C16H29N3/c1-3-10-17-13-14-7-5-6-8-15(14)16-9-11-18-19(16)12-4-2/h9,11,14-15,17H,3-8,10,12-13H2,1-2H3
InChIKeyPEQYBUGIUGYMES-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.57
Rot. Bonds7

About N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine

N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81028153) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
PubChem CID81028153
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccnn1CCC
InChIInChI=1S/C16H29N3/c1-3-10-17-13-14-7-5-6-8-15(14)16-9-11-18-19(16)12-4-2/h9,11,14-15,17H,3-8,10,12-13H2,1-2H3
InChIKeyPEQYBUGIUGYMES-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81025718
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
[2-(2-propylpyrazol-3-yl)cyclopropyl]methanol
CID 114558305
5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 114558308
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine (CID 81028153) is N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1ccnn1CCC.
What is the InChIKey of N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is PEQYBUGIUGYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-10-17-13-14-7-5-6-8-15(14)16-9-11-18-19(16)12-4-2/h9,11,14-15,17H,3-8,10,12-13H2,1-2H3.
What are the key properties of N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81028153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).