N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine

C15H27N3 — CID 62128172

IUPACN-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Cc2cnn(C)c2)C1
InChIInChI=1S/C15H27N3/c1-4-5-12-6-7-15(16-2)14(8-12)9-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyAECCDXGLNXUCNJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 62128172) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID62128172
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Cc2cnn(C)c2)C1
InChIInChI=1S/C15H27N3/c1-4-5-12-6-7-15(16-2)14(8-12)9-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyAECCDXGLNXUCNJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724
2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63401168
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171
N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
CID 83196394
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
CID 64508030
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403813
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine (CID 62128172) is N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(Cc2cnn(C)c2)C1.
What is the InChIKey of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is AECCDXGLNXUCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-12-6-7-15(16-2)14(8-12)9-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62128172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).