2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

C14H25N3 — CID 106757824

IUPAC2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NC(C)c2ccnn2C)C(C)C1
InChIInChI=1S/C14H25N3/c1-10-5-6-13(11(2)9-10)16-12(3)14-7-8-15-17(14)4/h7-8,10-13,16H,5-6,9H2,1-4H3
InChIKeyDKUXVBIXHOJNNS-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.90
Rot. Bonds3

About 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 106757824) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID106757824
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NC(C)c2ccnn2C)C(C)C1
InChIInChI=1S/C14H25N3/c1-10-5-6-13(11(2)9-10)16-12(3)14-7-8-15-17(14)4/h7-8,10-13,16H,5-6,9H2,1-4H3
InChIKeyDKUXVBIXHOJNNS-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 106757083
4-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 106757689
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 113437556
N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
1-tert-butyl-N-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 106757617
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
CID 106757805
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541
1-cyclopropyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 106757719
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
(2-methylcyclopropyl)-(2-methylpyrazol-3-yl)methanamine
CID 65422135
4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106757864

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (CID 106757824) is 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is CC1CCC(NC(C)c2ccnn2C)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DKUXVBIXHOJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-5-6-13(11(2)9-10)16-12(3)14-7-8-15-17(14)4/h7-8,10-13,16H,5-6,9H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106757824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).