1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine

C14H25N3O — CID 62384395

IUPAC1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-11(15)14(13-8-16-17(2)9-13)18-10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,15H2,1-2H3
InChIKeyYJBYPDMAQMEZOU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.41
Rot. Bonds5

About 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine

1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 62384395) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID62384395
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-11(15)14(13-8-16-17(2)9-13)18-10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,15H2,1-2H3
InChIKeyYJBYPDMAQMEZOU-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
1-(1-methylpyrazol-4-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83052284
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine (CID 62384395) is 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine is CC(N)C(OCC1CCCCC1)c1cnn(C)c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is YJBYPDMAQMEZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(15)14(13-8-16-17(2)9-13)18-10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine?
1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 62384395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).