1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine

C14H25N3 — CID 78921262

IUPAC1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccn(C)n1)C1CCCCC1
InChIInChI=1S/C14H25N3/c1-3-14(12-7-5-4-6-8-12)15-11-13-9-10-17(2)16-13/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyCUBHRKIZQJPHQQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine

1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 78921262) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID78921262
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccn(C)n1)C1CCCCC1
InChIInChI=1S/C14H25N3/c1-3-14(12-7-5-4-6-8-12)15-11-13-9-10-17(2)16-13/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyCUBHRKIZQJPHQQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82881755
6-[(1-cyclohexylpropylamino)methyl]pyridin-3-ol
CID 79793819
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
1-cyclohexyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437768
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899941
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 78921262) is 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCC(NCc1ccn(C)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is CUBHRKIZQJPHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-14(12-7-5-4-6-8-12)15-11-13-9-10-17(2)16-13/h9-10,12,14-15H,3-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 78921262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).