N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

C18H33N3 — CID 81025718

IUPACN-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1c1ccnn1CC
InChIInChI=1S/C18H33N3/c1-5-10-19-13-16-8-7-15(14(3)4)12-17(16)18-9-11-20-21(18)6-2/h9,11,14-17,19H,5-8,10,12-13H2,1-4H3
InChIKeyPKXPNXFSPLKGOZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.06
Rot. Bonds7

About N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (PubChem CID 81025718) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
PubChem CID81025718
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1c1ccnn1CC
InChIInChI=1S/C18H33N3/c1-5-10-19-13-16-8-7-15(14(3)4)12-17(16)18-9-11-20-21(18)6-2/h9,11,14-17,19H,5-8,10,12-13H2,1-4H3
InChIKeyPKXPNXFSPLKGOZ-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (CID 81025718) is N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C(C)C)CC1c1ccnn1CC.
What is the InChIKey of N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The InChIKey is PKXPNXFSPLKGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-10-19-13-16-8-7-15(14(3)4)12-17(16)18-9-11-20-21(18)6-2/h9,11,14-17,19H,5-8,10,12-13H2,1-4H3.
What are the key properties of N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpyrazol-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81025718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).