1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C15H28N4 — CID 79074466

IUPAC1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCn1nccc1C(N)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H28N4/c1-5-19-13(8-10-17-19)14(16)15(18(3)4)9-6-7-12(2)11-15/h8,10,12,14H,5-7,9,11,16H2,1-4H3
InChIKeySQHSWRLRTCDZIN-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.41
Rot. Bonds4

About 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074466) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074466
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCn1nccc1C(N)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H28N4/c1-5-19-13(8-10-17-19)14(16)15(18(3)4)9-6-7-12(2)11-15/h8,10,12,14H,5-7,9,11,16H2,1-4H3
InChIKeySQHSWRLRTCDZIN-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-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 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074466) is 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CCn1nccc1C(N)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is SQHSWRLRTCDZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-19-13(8-10-17-19)14(16)15(18(3)4)9-6-7-12(2)11-15/h8,10,12,14H,5-7,9,11,16H2,1-4H3.
What are the key properties of 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).