N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine

C15H27N3 — CID 79870277

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCc1cc(CNC2CCCCC2(C)C)n(C)n1
InChIInChI=1S/C15H27N3/c1-5-12-10-13(18(4)17-12)11-16-14-8-6-7-9-15(14,2)3/h10,14,16H,5-9,11H2,1-4H3
InChIKeyNBGAANHGZNBBBO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.04
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine

N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79870277) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79870277
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCc1cc(CNC2CCCCC2(C)C)n(C)n1
InChIInChI=1S/C15H27N3/c1-5-12-10-13(18(4)17-12)11-16-14-8-6-7-9-15(14,2)3/h10,14,16H,5-9,11H2,1-4H3
InChIKeyNBGAANHGZNBBBO-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870930
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902
3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106257250
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 113294619
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 103787170
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377
1-(2,2-dimethylcyclopropyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107004635
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601177
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 79861658
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870634
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79870277) is N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine is CCc1cc(CNC2CCCCC2(C)C)n(C)n1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is NBGAANHGZNBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-12-10-13(18(4)17-12)11-16-14-8-6-7-9-15(14,2)3/h10,14,16H,5-9,11H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79870277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).