2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine

C12H23N3 — CID 43662400

IUPAC2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1ccn[nH]1
InChIInChI=1S/C12H23N3/c1-3-5-6-11(4-2)9-13-10-12-7-8-14-15-12/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,14,15)
InChIKeyRFTNAELNHBDAIZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.72
Rot. Bonds8

About 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine

2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine (PubChem CID 43662400) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine
PubChem CID43662400
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1ccn[nH]1
InChIInChI=1S/C12H23N3/c1-3-5-6-11(4-2)9-13-10-12-7-8-14-15-12/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,14,15)
InChIKeyRFTNAELNHBDAIZ-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine (CID 43662400) is 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine is CCCCC(CC)CNCc1ccn[nH]1.
What is the InChIKey of 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine?
The InChIKey is RFTNAELNHBDAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-6-11(4-2)9-13-10-12-7-8-14-15-12/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine?
2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-pyrazol-5-ylmethyl)hexan-1-amine is sourced from PubChem (CID 43662400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).