[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine

C14H25N3O — CID 65050468

IUPAC[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCn2cccn2)CC1
InChIInChI=1S/C14H25N3O/c1-13(2)4-6-14(12-15,7-5-13)18-11-10-17-9-3-8-16-17/h3,8-9H,4-7,10-12,15H2,1-2H3
InChIKeyWWOJXGRVLWASPO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds5

About [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine

[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine (PubChem CID 65050468) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
PubChem CID65050468
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCn2cccn2)CC1
InChIInChI=1S/C14H25N3O/c1-13(2)4-6-14(12-15,7-5-13)18-11-10-17-9-3-8-16-17/h3,8-9H,4-7,10-12,15H2,1-2H3
InChIKeyWWOJXGRVLWASPO-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine (CID 65050468) is [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine is CC1(C)CCC(CN)(OCCn2cccn2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine?
The InChIKey is WWOJXGRVLWASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(2)4-6-14(12-15,7-5-13)18-11-10-17-9-3-8-16-17/h3,8-9H,4-7,10-12,15H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine?
[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65050468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).