3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine

C13H23N3 — CID 103922095

IUPAC3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCC(C)(C)C1)c1cn[nH]c1
InChIInChI=1S/C13H23N3/c1-10(11-8-14-15-9-11)16-12-5-4-6-13(2,3)7-12/h8-10,12,16H,4-7H2,1-3H3,(H,14,15)
InChIKeySXGKAAGVMHKQOO-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.03
Rot. Bonds3

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

3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103922095) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103922095
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCC(C)(C)C1)c1cn[nH]c1
InChIInChI=1S/C13H23N3/c1-10(11-8-14-15-9-11)16-12-5-4-6-13(2,3)7-12/h8-10,12,16H,4-7H2,1-3H3,(H,14,15)
InChIKeySXGKAAGVMHKQOO-UHFFFAOYSA-N
XLogP3.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316
4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905109
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
1-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]thian-4-amine
CID 106209325
2-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106209229
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398337
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
CID 106209176

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 103922095) is 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is CC(NC1CCCC(C)(C)C1)c1cn[nH]c1.
What is the InChIKey of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is SXGKAAGVMHKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(11-8-14-15-9-11)16-12-5-4-6-13(2,3)7-12/h8-10,12,16H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine?
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103922095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).