[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine

C18H33N3 — CID 65425655

IUPAC[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCCC(C)n1ccc(CC2(CN)CCC(C(C)C)CC2)n1
InChIInChI=1S/C18H33N3/c1-5-15(4)21-11-8-17(20-21)12-18(13-19)9-6-16(7-10-18)14(2)3/h8,11,14-16H,5-7,9-10,12-13,19H2,1-4H3
InChIKeyYNNRHEPCEPNBNT-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.19
Rot. Bonds6

About [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine

[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65425655) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65425655
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCCC(C)n1ccc(CC2(CN)CCC(C(C)C)CC2)n1
InChIInChI=1S/C18H33N3/c1-5-15(4)21-11-8-17(20-21)12-18(13-19)9-6-16(7-10-18)14(2)3/h8,11,14-16H,5-7,9-10,12-13,19H2,1-4H3
InChIKeyYNNRHEPCEPNBNT-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66025131
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116604011
1-[1-(aminomethyl)cyclopropyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116601130
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopropylazepane
CID 79118218
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65394733
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775

Frequently Asked Questions

What is the IUPAC name of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine (CID 65425655) is [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine is CCC(C)n1ccc(CC2(CN)CCC(C(C)C)CC2)n1.
What is the InChIKey of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is YNNRHEPCEPNBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-15(4)21-11-8-17(20-21)12-18(13-19)9-6-16(7-10-18)14(2)3/h8,11,14-16H,5-7,9-10,12-13,19H2,1-4H3.
What are the key properties of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 291.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65425655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).