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

C14H25N3 — CID 115808792

IUPACN-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1(CC)CCCC1
InChIInChI=1S/C14H25N3/c1-4-14(8-6-7-9-14)13(15-5-2)12-10-16-17(3)11-12/h10-11,13,15H,4-9H2,1-3H3
InChIKeyZQUUVKXWSCSHDU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.04
Rot. Bonds5

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

N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115808792) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID115808792
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1(CC)CCCC1
InChIInChI=1S/C14H25N3/c1-4-14(8-6-7-9-14)13(15-5-2)12-10-16-17(3)11-12/h10-11,13,15H,4-9H2,1-3H3
InChIKeyZQUUVKXWSCSHDU-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 115808792) is N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)C1(CC)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is ZQUUVKXWSCSHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-14(8-6-7-9-14)13(15-5-2)12-10-16-17(3)11-12/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115808792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).