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

C14H25N3 — CID 104694248

IUPAC4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCn1nccc1CCNC1CCC(C)(C)CC1
InChIInChI=1S/C14H25N3/c1-14(2)8-4-12(5-9-14)15-10-6-13-7-11-16-17(13)3/h7,11-12,15H,4-6,8-10H2,1-3H3
InChIKeyBAMAGYZEBMTHFF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds4

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

4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 104694248) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID104694248
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCn1nccc1CCNC1CCC(C)(C)CC1
InChIInChI=1S/C14H25N3/c1-14(2)8-4-12(5-9-14)15-10-6-13-7-11-16-17(13)3/h7,11-12,15H,4-6,8-10H2,1-3H3
InChIKeyBAMAGYZEBMTHFF-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103005369
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 103015727
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (CID 104694248) is 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is Cn1nccc1CCNC1CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is BAMAGYZEBMTHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2)8-4-12(5-9-14)15-10-6-13-7-11-16-17(13)3/h7,11-12,15H,4-6,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 104694248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).