N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C15H27N3 — CID 65195505

IUPACN-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3/c1-5-16-15(14-9-17-18(4)10-14)13-7-6-11(2)12(3)8-13/h9-13,15-16H,5-8H2,1-4H3
InChIKeyBAQHDZZBTUAOQS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.14
Rot. Bonds4

About N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 65195505) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID65195505
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3/c1-5-16-15(14-9-17-18(4)10-14)13-7-6-11(2)12(3)8-13/h9-13,15-16H,5-8H2,1-4H3
InChIKeyBAQHDZZBTUAOQS-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65410246
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195450
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 65200078
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 65195505) is N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is BAQHDZZBTUAOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-16-15(14-9-17-18(4)10-14)13-7-6-11(2)12(3)8-13/h9-13,15-16H,5-8H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65195505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).