2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine

C17H31N3 — CID 64799094

IUPAC2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(CC)n1ccc(CNC2CCCC(C)C2C)n1
InChIInChI=1S/C17H31N3/c1-5-16(6-2)20-11-10-15(19-20)12-18-17-9-7-8-13(3)14(17)4/h10-11,13-14,16-18H,5-9,12H2,1-4H3
InChIKeyMIDUSNQOCPACCV-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.16
Rot. Bonds6

About 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine

2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 64799094) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID64799094
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(CC)n1ccc(CNC2CCCC(C)C2C)n1
InChIInChI=1S/C17H31N3/c1-5-16(6-2)20-11-10-15(19-20)12-18-17-9-7-8-13(3)14(17)4/h10-11,13-14,16-18H,5-9,12H2,1-4H3
InChIKeyMIDUSNQOCPACCV-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 64799094) is 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine is CCC(CC)n1ccc(CNC2CCCC(C)C2C)n1.
What is the InChIKey of 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is MIDUSNQOCPACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-16(6-2)20-11-10-15(19-20)12-18-17-9-7-8-13(3)14(17)4/h10-11,13-14,16-18H,5-9,12H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64799094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).