N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine

C14H25N3 — CID 81032019

IUPACN-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cnn(C)c1
InChIInChI=1S/C14H25N3/c1-4-15-8-12-6-5-11(2)7-14(12)13-9-16-17(3)10-13/h9-12,14-15H,4-8H2,1-3H3
InChIKeySAGTXOLOPKZNPD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.55
Rot. Bonds4

About N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine

N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine (PubChem CID 81032019) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
PubChem CID81032019
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cnn(C)c1
InChIInChI=1S/C14H25N3/c1-4-15-8-12-6-5-11(2)7-14(12)13-9-16-17(3)10-13/h9-12,14-15H,4-8H2,1-3H3
InChIKeySAGTXOLOPKZNPD-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine (CID 81032019) is N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1cnn(C)c1.
What is the InChIKey of N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine?
The InChIKey is SAGTXOLOPKZNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-15-8-12-6-5-11(2)7-14(12)13-9-16-17(3)10-13/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine?
N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81032019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).