2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine

C17H33N3 — CID 64779275

IUPAC2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H33N3/c1-5-9-11-17(8-4,14-18)13-15-10-12-20(19-15)16(6-2)7-3/h10,12,16H,5-9,11,13-14,18H2,1-4H3
InChIKeyWYLZDPOBENCCBK-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.33
Rot. Bonds10

About 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine

2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine (PubChem CID 64779275) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
PubChem CID64779275
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H33N3/c1-5-9-11-17(8-4,14-18)13-15-10-12-20(19-15)16(6-2)7-3/h10,12,16H,5-9,11,13-14,18H2,1-4H3
InChIKeyWYLZDPOBENCCBK-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine (CID 64779275) is 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine is CCCCC(CC)(CN)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine?
The InChIKey is WYLZDPOBENCCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-9-11-17(8-4,14-18)13-15-10-12-20(19-15)16(6-2)7-3/h10,12,16H,5-9,11,13-14,18H2,1-4H3.
What are the key properties of 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine?
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine is sourced from PubChem (CID 64779275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).