[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine

C15H27N3 — CID 81012513

IUPAC[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
SMILESCCCn1cc(C2CC(C)(C)CCC2CN)cn1
InChIInChI=1S/C15H27N3/c1-4-7-18-11-13(10-17-18)14-8-15(2,3)6-5-12(14)9-16/h10-12,14H,4-9,16H2,1-3H3
InChIKeyAVPVCLKIRWSLNV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.16
Rot. Bonds4

About [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine

[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine (PubChem CID 81012513) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
PubChem CID81012513
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
SMILESCCCn1cc(C2CC(C)(C)CCC2CN)cn1
InChIInChI=1S/C15H27N3/c1-4-7-18-11-13(10-17-18)14-8-15(2,3)6-5-12(14)9-16/h10-12,14H,4-9,16H2,1-3H3
InChIKeyAVPVCLKIRWSLNV-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81023100
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 64908753
[4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methanamine
CID 113297409
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
CID 114666692
4-tert-butyl-2-(1-propylpyrazol-4-yl)cyclohexan-1-amine
CID 81014748
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
CID 103571674
[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 116507076
3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 116538948

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine (CID 81012513) is [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine is CCCn1cc(C2CC(C)(C)CCC2CN)cn1.
What is the InChIKey of [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
The InChIKey is AVPVCLKIRWSLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-18-11-13(10-17-18)14-8-15(2,3)6-5-12(14)9-16/h10-12,14H,4-9,16H2,1-3H3.
What are the key properties of [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81012513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).